Chembase list of 866358 unique molecular structures

methyl 5-(chlorosulfonyl)pyridine-3-carboxylate

$$$$ Data

M. F.

C7H6ClNO4S

Suppliers	Catalog Number
Enamine	EN300-79589

Database	Data ID
PubChem	54593988

M. W.

235.64484

CAS

Similarity

N/A

ID: 276052

methyl 5-sulfamoylpyridine-3-carboxylate

$$$$ Data

M. F.

C7H8N2O4S

Suppliers	Catalog Number
Enamine	EN300-79590

Database	Data ID
PubChem	54593989

M. W.

216.21442

CAS

Similarity

N/A

ID: 276053

4-(chlorosulfonyl)phenyl propanoate

$$$$ Data

M. F.

C9H9ClO4S

Suppliers	Catalog Number
Enamine	EN300-79591

Database	Data ID
PubChem	54593990

M. W.

248.68336

CAS

Similarity

N/A

ID: 276054

4-(chlorosulfonyl)phenyl 2-methylpropanoate

$$$$ Data

M. F.

C10H11ClO4S

Suppliers	Catalog Number
Enamine	EN300-79592

Database	Data ID
PubChem	54593991

M. W.

262.70994

CAS

Similarity

N/A

ID: 276055

methyl 4-(chlorosulfonyl)thiophene-3-carboxylate

$$$$ Data

M. F.

C6H5ClO4S2

Suppliers	Catalog Number
Enamine	EN300-79593

Database	Data ID
PubChem	12593671

M. W.

240.6845

CAS

Similarity

N/A

ID: 276056

methyl 4-sulfamoylthiophene-3-carboxylate

$$$$ Data

M. F.

C6H7NO4S2

Suppliers	Catalog Number
Enamine	EN300-79594

Database	Data ID
PubChem	3042284

M. W.

221.25408

CAS

Similarity

N/A

ID: 276057

4-(1-methyl-1H-imidazol-2-yl)aniline hydrochloride

$$$$ Data

M. F.

C10H12ClN3

Suppliers	Catalog Number
Enamine	EN300-79597

Database	Data ID
PubChem	54593992

M. W.

209.67538

CAS

Similarity

N/A

ID: 276058

4-bromophenyl chloranesulfonate

$$$$ Data

M. F.

C6H4BrClO3S

Suppliers	Catalog Number
Enamine	EN300-79598

Database	Data ID
PubChem	21613636

M. W.

271.51616

CAS

Similarity

N/A

ID: 276059

1-methyl-2-(4-nitrophenyl)-1H-imidazole

$$$$ Data

M. F.

C10H9N3O2

Suppliers	Catalog Number
Enamine	EN300-79599

Database	Data ID
PubChem	23506816

M. W.

203.19736

CAS

Similarity

N/A

ID: 276060

4-(1,1-dioxo-1λ⁶,2-thiazolidin-2-yl)-3-methylbenzoic acid

$$$$ Data

M. F.

C11H13NO4S

Suppliers	Catalog Number
Enamine	EN300-79600

Database	Data ID
PubChem	24688811

M. W.

255.29022

CAS

Similarity

N/A

ID: 276061

3-bromophenyl chloranesulfonate

$$$$ Data

M. F.

C6H4BrClO3S

Suppliers	Catalog Number
Enamine	EN300-79601

Database	Data ID
PubChem	54593993

M. W.

271.51616

CAS

Similarity

N/A

ID: 276062

5-methyl-2-(pyrrolidin-1-yl)benzoic acid

$$$$ Data

M. F.

C12H15NO2

Suppliers	Catalog Number
Enamine	EN300-79602

Database	Data ID
PubChem	54593994

M. W.

205.253

CAS

Similarity

N/A

ID: 276063

2-bromophenyl chloranesulfonate

$$$$ Data

M. F.

C6H4BrClO3S

Suppliers	Catalog Number
Enamine	EN300-79603

Database	Data ID
PubChem	54593995

M. W.

271.51616

CAS

Similarity

N/A

ID: 276064

2-chlorophenyl chloranesulfonate

$$$$ Data

M. F.

C6H4Cl2O3S

Suppliers	Catalog Number
Enamine	EN300-79604

Database	Data ID
PubChem	54593996

M. W.

227.06516

CAS

Similarity

N/A

ID: 276065

3-[4-(chloromethyl)-2-methoxyphenoxymethyl]benzonitrile

$$$$ Data

M. F.

C16H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-79605

Database	Data ID
PubChem	29040640

M. W.

287.74086

CAS

Similarity

N/A

ID: 276066

(4-aminobutyl)urea hydrochloride

$$$$ Data

M. F.

C5H14ClN3O

Suppliers	Catalog Number
Enamine	EN300-79606

Database	Data ID
PubChem	19261533

M. W.

167.63716

CAS

Similarity

N/A

ID: 276067

3-chlorophenyl chloranesulfonate

$$$$ Data

M. F.

C6H4Cl2O3S

Suppliers	Catalog Number
Enamine	EN300-79607

Database	Data ID
PubChem	54593997

M. W.

227.06516

CAS

Similarity

N/A

ID: 276068

1-N-methylbenzene-1,4-disulfonamide

$$$$ Data

M. F.

C7H10N2O4S2

Suppliers	Catalog Number
Enamine	EN300-79608

Database	Data ID
PubChem	37594604

M. W.

250.2953

CAS

Similarity

N/A

ID: 276069

4-chlorophenyl chloranesulfonate

$$$$ Data

M. F.

C6H4Cl2O3S

Suppliers	Catalog Number
Enamine	EN300-79609

Database	Data ID
PubChem	12741185

M. W.

227.06516

CAS

Similarity

N/A

ID: 276070

1-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-1,2,3,4-tetrazole-5-thione

$$$$ Data

M. F.

C8H6N4O2S

Suppliers	Catalog Number
Enamine	EN300-79611

Database	Data ID
PubChem	3150667

M. W.

222.22384

CAS

Similarity

N/A

ID: 276071

1-(5-methyl-1,3-thiazol-2-yl)piperazine dihydrochloride

$$$$ Data

M. F.

C8H15Cl2N3S

Suppliers	Catalog Number
Enamine	EN300-79612

Database	Data ID
PubChem	54593998

M. W.

256.1958

CAS

Similarity

N/A

ID: 276072

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-1,2,3,4-tetrazole-5-thione

$$$$ Data

M. F.

C9H8N4O2S

Suppliers	Catalog Number
Enamine	EN300-79613

Database	Data ID
PubChem	859369

M. W.

236.25042

CAS

Similarity

N/A

ID: 276073

1-methanesulfonylpyrrolidin-3-amine hydrochloride

$$$$ Data

M. F.

C5H13ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-79614

Database	Data ID
PubChem	54593999

M. W.

200.68692

CAS

Similarity

N/A

ID: 276074

4-chloro-6,7,8-trifluoro-2-methylquinoline

$$$$ Data

M. F.

C10H5ClF3N

Suppliers	Catalog Number
Enamine	EN300-79615

Database	Data ID
PubChem	15151234

M. W.

231.6016096

CAS

Similarity

N/A

ID: 276075

ethyl 4-(trifluoromethyl)benzene-1-carboximidate

$$$$ Data

M. F.

C10H10F3NO

Suppliers	Catalog Number
Enamine	EN300-79616

Database	Data ID
PubChem	15149971

M. W.

217.1877096

CAS

Similarity

N/A

ID: 276076

1,2,4-thiadiazole-3-sulfonamide

$$$$ Data

M. F.

C2H3N3O2S2

Suppliers	Catalog Number
Enamine	EN300-79619

Database	Data ID
PubChem	18679681

M. W.

165.19412

CAS

Similarity

N/A

ID: 276077

3-(cyclopropylamino)propan-1-ol

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
Enamine	EN300-79620

Database	Data ID
PubChem	54547218

M. W.

115.17352

CAS

Similarity

N/A

ID: 276078

[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl](ethyl)amine

$$$$ Data

M. F.

C17H20N2

Suppliers	Catalog Number
Enamine	EN300-79622

Database	Data ID
PubChem	43491745

M. W.

252.3541

CAS

Similarity

N/A

ID: 276079

3-methyl-3-(propan-2-yl)pyrrolidine-2,5-dione

$$$$ Data

M. F.

C8H13NO2

Suppliers	Catalog Number
Enamine	EN300-79624

Database	Data ID
PubChem	43131938

M. W.

155.19432

CAS

Similarity

N/A

ID: 276080

(1-bromopropan-2-yl)benzene

$$$$ Data

M. F.

C9H11Br

Suppliers	Catalog Number
Alfa Aesar	L16267
Enamine	EN300-79625

Database	Data ID
PubChem	97813

M. W.

199.08764

CAS

1459-00-3

Similarity

N/A

ID: 276081

1-(6-methylpyridin-2-yl)piperidin-4-amine

$$$$ Data

M. F.

C11H17N3

Suppliers	Catalog Number
Enamine	EN300-79626

Database	Data ID
PubChem	12760110

M. W.

191.27278

CAS

Similarity

N/A

ID: 276082

2-(3-chlorophenyl)-1-methylpiperidine-3-carboxylic acid

$$$$ Data

M. F.

C13H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-79627

Database	Data ID
PubChem	54594000

M. W.

253.72464

CAS

Similarity

N/A

ID: 276083

N-(4-amino-2,6-dichlorophenyl)pyridine-4-carboxamide

$$$$ Data

M. F.

C12H9Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-79629

Database	Data ID
PubChem	16777448

M. W.

282.12536

CAS

Similarity

N/A

ID: 276084

2-(4-propoxyphenoxy)cyclohexan-1-amine hydrochloride

$$$$ Data

M. F.

C15H24ClNO2

Suppliers	Catalog Number
Enamine	EN300-79631

Database	Data ID
PubChem	54594001

M. W.

285.80956

CAS

Similarity

N/A

ID: 276085

4,5-dimethyl-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C11H11NO2

Suppliers	Catalog Number
Enamine	EN300-79632

Database	Data ID
PubChem	17907628

M. W.

189.21054

CAS

Similarity

N/A

ID: 276086

5-formamido-1H-1,2,4-triazole-3-sulfonyl chloride

$$$$ Data

M. F.

C3H3ClN4O3S

Suppliers	Catalog Number
Enamine	EN300-79633

Database	Data ID
PubChem	10443117

M. W.

210.59892

CAS

Similarity

N/A

ID: 276087

4-(2-oxo-1,2-dihydropyridin-1-yl)butanoic acid

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
Enamine	EN300-79634

Database	Data ID
PubChem	12390553

M. W.

181.18854

CAS

Similarity

N/A

ID: 276088

ethyl 3-(5-bromo-2-methoxyphenyl)-3-hydroxypropanoate

$$$$ Data

M. F.

C12H15BrO4

Suppliers	Catalog Number
Enamine	EN300-79636

Database	Data ID
PubChem	24776950

M. W.

303.1491

CAS

Similarity

N/A

ID: 276089

6-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine

$$$$ Data

M. F.

C7H5F3N4

Suppliers	Catalog Number
Enamine	EN300-79639

Database	Data ID
PubChem	54594002

M. W.

202.1366096

CAS

Similarity

N/A

ID: 276090

2-(4-bromo-2-fluorophenyl)-1λ⁶,2-thiazolidine-1,1-dione

$$$$ Data

M. F.

C9H9BrFNO2S

Suppliers	Catalog Number
Enamine	EN300-79642

Database	Data ID
PubChem	24694631

M. W.

294.1406632

CAS

Similarity

N/A

ID: 276091

1-(1H-1,2,3,4-tetrazol-5-yl)cyclopropan-1-amine

$$$$ Data

M. F.

C4H7N5

Suppliers	Catalog Number
Enamine	EN300-79643

Database	Data ID
PubChem	54594003

M. W.

125.13188

CAS

Similarity

N/A

ID: 276092

5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid

$$$$ Data

M. F.

C9H5FN2O3

Suppliers	Catalog Number
Enamine	EN300-79644

Database	Data ID
PubChem	53418234

M. W.

208.1460032

CAS

Similarity

N/A

ID: 276093

methyl thiomorpholine-3-carboxylate

$$$$ Data

M. F.

C6H11NO2S

Suppliers	Catalog Number
Enamine	EN300-79647

Database	Data ID
PubChem	12858834

M. W.

161.22204

CAS

Similarity

N/A

ID: 276094

1,2-oxazol-3-ylmethanol

$$$$ Data

M. F.

C4H5NO2

Suppliers	Catalog Number
Enamine	EN300-79648
Bide Pharmatech	BD35337
A&J Pharmtech	AJA-O11316 AJA-O13760 AJA-O13035

Database	Data ID
PubChem	12905096

M. W.

99.088

CAS

89102-73-8

Similarity

N/A

ID: 276095

4-(2-methoxyethoxy)piperidine

$$$$ Data

M. F.

C8H17NO2

Suppliers	Catalog Number
ChemBridge	4088028 4002974
Enamine	EN300-79649

Database	Data ID
PubChem	14022384

M. W.

159.22608

CAS

70978-88-0

Similarity

N/A

ID: 276096

3-(2H-1,2,3,4-tetrazol-5-yl)piperidine

$$$$ Data

M. F.

C6H11N5

Suppliers	Catalog Number
Enamine	EN300-79650

Database	Data ID
PubChem	10374637

M. W.

153.18504

CAS

Similarity

N/A

ID: 276097

1-methyl-3-(methylsulfanyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

$$$$ Data

M. F.

C7H8N4OS

Suppliers	Catalog Number
Enamine	EN300-79651

Database	Data ID
PubChem	54594004

M. W.

196.22962

CAS

Similarity

N/A

ID: 276098

ethyl 2-oxo-2-(piperazin-1-yl)acetate hydrochloride

$$$$ Data

M. F.

C8H15ClN2O3

Suppliers	Catalog Number
Enamine	EN300-79658

Database	Data ID
PubChem	54594005

M. W.

222.6693

CAS

Similarity

N/A

ID: 276099

2-(2,3-dihydro-1H-indol-1-yl)-N'-hydroxyethanimidamide

$$$$ Data

M. F.

C10H13N3O

Suppliers	Catalog Number
Enamine	EN300-79662

Database	Data ID
PubChem	24703377

M. W.

191.22972

CAS

Similarity

N/A

ID: 276100

N-methyl-2-({[3-(trifluoromethyl)phenyl]methyl}amino)acetamide

$$$$ Data

M. F.

C11H13F3N2O

Suppliers	Catalog Number
Enamine	EN300-79663

Database	Data ID
PubChem	28573706

M. W.

246.2289296

CAS

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