Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C7H16N2O2S

Suppliers	Catalog Number
Life Chemicals	F2190-0715
InterBioScreen	BB_SC-10271

Database	Data ID
PubChem	22562851

M. W.

192.27914

CAS

Similarity

N/A

ID: 118502

1-(cyclopropanesulfonyl)piperazine

$$$$ Data

M. F.

C7H14N2O2S

Suppliers	Catalog Number
Life Chemicals	F2190-0716

Database	Data ID
PubChem	45496790

M. W.

190.26326

CAS

Similarity

N/A

ID: 118503

2-[4-(cyclopropanesulfonyl)piperazin-1-yl]ethan-1-amine

$$$$ Data

M. F.

C9H19N3O2S

Suppliers	Catalog Number
Life Chemicals	F2190-0717

Database	Data ID
PubChem	45496791

M. W.

233.33106

CAS

Similarity

N/A

ID: 118504

N-(4-aminophenyl)cyclopropanesulfonamide

$$$$ Data

M. F.

C9H12N2O2S

Suppliers	Catalog Number
Life Chemicals	F2190-0719

Database	Data ID
PubChem	45496792

M. W.

212.26878

CAS

Similarity

N/A

ID: 118505

N-(3-aminophenyl)cyclopropanesulfonamide

$$$$ Data

M. F.

C9H12N2O2S

Suppliers	Catalog Number
Life Chemicals	F2190-0720

Database	Data ID
PubChem	45496793

M. W.

212.26878

CAS

Similarity

N/A

ID: 118506

1-(cyclopropanesulfonyl)piperidine-4-carboxylic acid

$$$$ Data

M. F.

C9H15NO4S

Suppliers	Catalog Number
Life Chemicals	F2190-0721

Database	Data ID
PubChem	25000516

M. W.

233.2847

CAS

Similarity

N/A

ID: 118507

1-(cyclopropanesulfonyl)piperidine-3-carboxylic acid

$$$$ Data

M. F.

C9H15NO4S

Suppliers	Catalog Number
Life Chemicals	F2190-0722

Database	Data ID
PubChem	45496794

M. W.

233.2847

CAS

Similarity

N/A

ID: 118508

[1-(cyclopropanesulfonyl)piperidin-4-yl]methanamine

$$$$ Data

M. F.

C9H18N2O2S

Suppliers	Catalog Number
Life Chemicals	F2190-0723

Database	Data ID
PubChem	45496795

M. W.

218.31642

CAS

Similarity

N/A

ID: 118509

N-(piperidin-4-yl)cyclopropanesulfonamide

$$$$ Data

M. F.

C8H16N2O2S

Suppliers	Catalog Number
Life Chemicals	F2190-0724

Database	Data ID
PubChem	45496796

M. W.

204.28984

CAS

Similarity

N/A

ID: 118510

2-cyclopropanesulfonamidoacetic acid

$$$$ Data

M. F.

C5H9NO4S

Suppliers	Catalog Number
Life Chemicals	F2190-0725

Database	Data ID
PubChem	45496797

M. W.

179.19426

CAS

Similarity

N/A

ID: 118511

3-cyclopropanesulfonamidopropanoic acid

$$$$ Data

M. F.

C6H11NO4S

Suppliers	Catalog Number
Life Chemicals	F2190-0726

Database	Data ID
PubChem	45496798

M. W.

193.22084

CAS

Similarity

N/A

ID: 118512

4-cyclopropanesulfonamidobenzoic acid

$$$$ Data

M. F.

C10H11NO4S

Suppliers	Catalog Number
Life Chemicals	F2190-0727

Database	Data ID
PubChem	45496799

M. W.

241.26364

CAS

Similarity

N/A

ID: 118513

3-cyclopropanesulfonamidobenzoic acid

$$$$ Data

M. F.

C10H11NO4S

Suppliers	Catalog Number
Life Chemicals	F2190-0728

Database	Data ID
PubChem	45496800

M. W.

241.26364

CAS

Similarity

N/A

ID: 118514

2-cyclopropanesulfonamidobenzoic acid

$$$$ Data

M. F.

C10H11NO4S

Suppliers	Catalog Number
Life Chemicals	F2190-0729

Database	Data ID
PubChem	45496801

M. W.

241.26364

CAS

Similarity

N/A

ID: 118515

1-(2-hydroxyethyl)-5-propyl-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C9H14N2O3

Suppliers	Catalog Number
Life Chemicals	F2192-0015
Enamine	EN300-40224

Database	Data ID
PubChem	29053771

M. W.

198.21906

CAS

Similarity

N/A

ID: 118516

methyl 3-amino-5-iodothiophene-2-carboxylate

$$$$ Data

M. F.

C6H6INO2S

Suppliers	Catalog Number
Life Chemicals	F2193-0021
Bide Pharmatech	BD215180

Database	Data ID
PubChem	45480422

M. W.

283.08681

CAS

942589-45-9

Similarity

N/A

ID: 118517

3-benzyl-3,8-diazabicyclo[3.2.1]octane

$$$$ Data

M. F.

C13H18N2

Suppliers	Catalog Number
Life Chemicals	F2196-0005
TRC	B251290
Enamine	EN300-90563

Database	Data ID
PubChem	12430594

M. W.

202.29542

CAS

67571-90-8

Similarity

N/A

ID: 118518

3-oxa-8-azabicyclo[3.2.1]octane

$$$$ Data

M. F.

C6H11NO

Suppliers	Catalog Number
Life Chemicals	F2196-0008
Enamine	EN300-82710
A&J Pharmtech	AJA-O17472

Database	Data ID
PubChem	15235179

M. W.

113.15764

CAS

280-07-9

Similarity

N/A

ID: 118519

(1R,5S)-3-oxa-9-azabicyclo[3.3.1]nonane

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
Life Chemicals	F2196-0012

Database	Data ID
PubChem	49657939

M. W.

127.18422

CAS

Similarity

N/A

ID: 118520

3-benzyl-3,9-diazabicyclo[3.3.1]nonane

$$$$ Data

M. F.

C14H20N2

Suppliers	Catalog Number
Life Chemicals	F2196-0015
Enamine	EN300-90560

Database	Data ID
PubChem	49657956

M. W.

216.322

CAS

Similarity

N/A

ID: 118521

diphenylprop-2-yn-1-one

$$$$ Data

M. F.

C15H10O

Suppliers	Catalog Number
Sigma Aldrich	510815
Life Chemicals	F2196-0023

Database	Data ID
PubChem	97637

M. W.

206.2393

CAS

7338-94-5

Similarity

N/A

ID: 118522

tert-butyl 2-(pyrrolidin-2-yl)acetate

$$$$ Data

M. F.

C10H19NO2

Suppliers	Catalog Number
Life Chemicals	F2196-0026
Enamine	EN300-127647
A&J Pharmtech	AJA-O30192

Database	Data ID
PubChem	21671901

M. W.

185.26336

CAS

754177-25-8

Similarity

N/A

ID: 118523

5-(aminomethyl)pyridine-2-carbonitrile

$$$$ Data

M. F.

C7H7N3

Suppliers	Catalog Number
Life Chemicals	F2196-0037
A&J Pharmtech	AJA-O24521

Database	Data ID
PubChem	11355715

M. W.

133.15058

CAS

181130-14-3

Similarity

N/A

ID: 118524

5-{[(tert-butoxy)carbonyl]amino}pyrazine-2-carboxylic acid

$$$$ Data

M. F.

C10H13N3O4

Suppliers	Catalog Number
Life Chemicals	F2196-0038
A&J Pharmtech	AJA-O24435

Database	Data ID
PubChem	52903804

M. W.

239.22792

CAS

891782-63-1

Similarity

N/A

ID: 118525

5-methoxy-2,3-dihydro-1H-isoindol-1-one

$$$$ Data

M. F.

C9H9NO2

Suppliers	Catalog Number
Life Chemicals	F2196-0039
A&J Pharmtech	AJA-O24426

Database	Data ID
PubChem	22064719

M. W.

163.17326

CAS

132680-54-7

Similarity

N/A

ID: 118526

methyl 2-(bromomethyl)-5-fluorobenzoate

$$$$ Data

M. F.

C9H8BrFO2

Suppliers	Catalog Number
Life Chemicals	F2196-0040
Enamine	EN300-68441
A&J Pharmtech	AJA-O33582

Database	Data ID
PubChem	15155455

M. W.

247.0610232

CAS

138786-65-9

Similarity

N/A

ID: 118527

tert-butyl N-(pent-4-en-1-yl)carbamate

$$$$ Data

M. F.

C10H19NO2

Suppliers	Catalog Number
Life Chemicals	F2196-0041

Database	Data ID
PubChem	12181732

M. W.

185.26336

CAS

202925-92-6

Similarity

N/A

ID: 118528

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl chloride

$$$$ Data

M. F.

C11H8ClNO3

Suppliers	Catalog Number
Life Chemicals	F2196-0042
InterBioScreen	BB_SC-2551

Database	Data ID
PubChem	4914672

M. W.

237.63912

CAS

17137-11-0

Similarity

N/A

ID: 118529

1-(isothiocyanatomethyl)-4-methoxybenzene

$$$$ Data

M. F.

C9H9NOS

Suppliers	Catalog Number
Life Chemicals	F2196-0044
InterBioScreen	BB_NC-2790 STOCK1N-67568
TRC	M226110

Database	Data ID
PubChem	123197

M. W.

179.23886

CAS

3694-57-3

Similarity

N/A

ID: 118530

5-hydroxy-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C4H4N2O3

Suppliers	Catalog Number
Life Chemicals	F2196-0054

Database	Data ID
PubChem	3084676

M. W.

128.08616

CAS

Similarity

N/A

ID: 118531

5-chloro-4-formyl-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C5H3ClN2O3

Suppliers	Catalog Number
Life Chemicals	F2196-0055

Database	Data ID
PubChem	52903806

M. W.

174.54192

CAS

Similarity

N/A

ID: 118532

4-(trifluoromethyl)-1H-indole

$$$$ Data

M. F.

C9H6F3N

Suppliers	Catalog Number
Life Chemicals	F2196-0056
Bide Pharmatech	BD91739

Database	Data ID
PubChem	19803703

M. W.

185.1458496

CAS

128562-95-8

Similarity

N/A

ID: 118533

2-{[(tert-butoxy)carbonyl]amino}-2-(oxan-4-yl)acetic acid

$$$$ Data

M. F.

C12H21NO5

Suppliers	Catalog Number
Life Chemicals	F2196-0060
A&J Pharmtech	AJA-O16961

Database	Data ID
PubChem	22309198

M. W.

259.29884

CAS

182287-49-6

Similarity

N/A

ID: 118534

but-3-yn-2-amine

$$$$ Data

M. F.

C4H7N

Suppliers	Catalog Number
Life Chemicals	F2196-0062
Enamine	EN300-84650
A&J Pharmtech	AJA-O14705

Database	Data ID
PubChem	10290734

M. W.

69.10508

CAS

30389-17-4

Similarity

N/A

ID: 118535

tert-butyl 3-(aminomethyl)morpholine-4-carboxylate

$$$$ Data

M. F.

C10H20N2O3

Suppliers	Catalog Number
Life Chemicals	F2196-0063
Bide Pharmatech	BD28817
A&J Pharmtech	AJA-O30023

Database	Data ID
PubChem	44182325

M. W.

216.2774

CAS

475106-18-4

Similarity

N/A

ID: 118536

methyl 3-bromonaphthalene-1-carboxylate

$$$$ Data

M. F.

C12H9BrO2

Suppliers	Catalog Number
Life Chemicals	F2196-0064

Database	Data ID
PubChem	11311609

M. W.

265.10266

CAS

16650-63-8

Similarity

N/A

ID: 118537

6-fluoro-1,3-dihydro-2-benzofuran-1-one

$$$$ Data

M. F.

C8H5FO2

Suppliers	Catalog Number
Life Chemicals	F2196-0065

Database	Data ID
PubChem	11171082

M. W.

152.1225032

CAS

23932-84-5

Similarity

N/A

ID: 118538

pent-4-en-1-amine

$$$$ Data

M. F.

C5H11N

Suppliers	Catalog Number
Life Chemicals	F2196-0066
TRC	P227400
A&J Pharmtech	AJA-O14707

Database	Data ID
PubChem	533854

M. W.

85.14754

CAS

22537-07-1

Similarity

N/A

ID: 118539

6-fluoro-2,3-dihydro-1H-isoindol-1-one

$$$$ Data More

M. F.

C8H6FNO

Suppliers	Catalog Number
Life Chemicals	F2196-0073
Enamine	EN300-98934
Bide Pharmatech	BD216095

Database	Data ID
PubChem	19788105

M. W.

151.1377432

CAS

340702-10-5

Similarity

N/A

ID: 118540

2-(morpholin-3-yl)acetic acid

$$$$ Data

M. F.

C6H11NO3

Suppliers	Catalog Number
Life Chemicals	F2196-0074
Enamine	EN300-72182
A&J Pharmtech	AJA-O34919

Database	Data ID
PubChem	11423664

M. W.

145.15644

CAS

86236-84-2

Similarity

N/A

ID: 118541

methyl 2-(dibromomethyl)-5-fluorobenzoate

$$$$ Data

M. F.

C9H7Br2FO2

Suppliers	Catalog Number
Life Chemicals	F2196-0076

Database	Data ID
PubChem	52992064

M. W.

325.9570832

CAS

Similarity

N/A

ID: 118542

2-[2-(piperazin-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C14H17N3O2

Suppliers	Catalog Number
Life Chemicals	F2196-0079

Database	Data ID
PubChem	567252

M. W.

259.30368

CAS

Similarity

N/A

ID: 118543

2-amino-4-chloropyrimidine-5-carboxylic acid

$$$$ Data

M. F.

C5H4ClN3O2

Suppliers	Catalog Number
Life Chemicals	F2196-0110

Database	Data ID
PubChem	71299798

M. W.

173.55716

CAS

1240594-92-6

Similarity

N/A

ID: 118544

1-(pyridin-4-yl)propan-2-amine

$$$$ Data More

M. F.

C8H12N2

Suppliers	Catalog Number
ChemBridge	4002036
Life Chemicals	F2196-0112
Enamine	EN300-100279

Database	Data ID
PubChem	16494786

M. W.

136.19428

CAS

801173-51-3

Similarity

N/A

ID: 118545

tert-butyl 4-amino-2,3-dihydro-1H-indole-1-carboxylate

$$$$ Data

M. F.

C13H18N2O2

Suppliers	Catalog Number
Life Chemicals	F2197-0007
Enamine	EN300-104184

Database	Data ID
PubChem	52903807

M. W.

234.29422

CAS

Similarity

N/A

ID: 118546

2-chloroquinolin-8-amine

$$$$ Data

M. F.

C9H7ClN2

Suppliers	Catalog Number
Life Chemicals	F2197-0008

Database	Data ID
PubChem	346519

M. W.

178.61828

CAS

7461-11-2

Similarity

N/A

ID: 118547

8-hydrazinylquinoline

$$$$ Data

M. F.

C9H9N3

Suppliers	Catalog Number
ChemBridge	4100060
Life Chemicals	F2197-0009

Database	Data ID
PubChem	594433

M. W.

159.18786

CAS

14148-42-6

Similarity

N/A

ID: 118548

6-hydrazinylquinoline

$$$$ Data

M. F.

C9H9N3

Suppliers	Catalog Number
Life Chemicals	F2197-0011

Database	Data ID
PubChem	12334114

M. W.

159.18786

CAS

Similarity

N/A

ID: 118549

4-iodo-6,7-dimethoxy-1-propylisoquinolin-3-ol

$$$$ Data

M. F.

C14H16INO3

Suppliers	Catalog Number
Life Chemicals	F2197-0017

Database	Data ID
PubChem	52903808

M. W.

373.18621

CAS

Similarity

N/A

ID: 118550

6-methoxyquinolin-5-amine

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Life Chemicals	F2197-0018

Database	Data ID
PubChem	459671

M. W.

174.1992

CAS

50358-38-8

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified