Chembase list of 866358 unique molecular structures

3-methanesulfonylpropan-1-amine hydrochloride

$$$$ Data

M. F.

C4H12ClNO2S

Suppliers	Catalog Number
Enamine	EN300-49565

Database	Data ID
PubChem	21949285

M. W.

173.66158

CAS

Similarity

N/A

ID: 260852

1-[4-(benzyloxy)-3-methoxyphenyl]ethan-1-amine

$$$$ Data

M. F.

C16H19NO2

Suppliers	Catalog Number
Enamine	EN300-49570

Database	Data ID
PubChem	4654648

M. W.

257.32756

CAS

Similarity

N/A

ID: 260853

(naphthalen-1-yl)(thiophen-2-yl)methanone

$$$$ Data

M. F.

C15H10OS

Suppliers	Catalog Number
Enamine	EN300-49571

Database	Data ID
PubChem	3783262

M. W.

238.3043

CAS

Similarity

N/A

ID: 260854

2-chloro-6-(piperidin-1-yl)benzaldehyde hydrochloride

$$$$ Data

M. F.

C12H15Cl2NO

Suppliers	Catalog Number
Enamine	EN300-49572

Database	Data ID
PubChem	45791640

M. W.

260.1596

CAS

Similarity

N/A

ID: 260855

4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

$$$$ Data

M. F.

C7H9N3O2

Suppliers	Catalog Number
Enamine	EN300-49573

Database	Data ID
PubChem	20058383

M. W.

167.16526

CAS

Similarity

N/A

ID: 260856

3-methyl-5-(4-methyl-3-nitrophenyl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C10H9N3O3

Suppliers	Catalog Number
Enamine	EN300-49574

Database	Data ID
PubChem	45791641

M. W.

219.19676

CAS

Similarity

N/A

ID: 260857

2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C10H5Cl2NO2S

Suppliers	Catalog Number
Enamine	EN300-49576

Database	Data ID
PubChem	43140173

M. W.

274.1232

CAS

Similarity

N/A

ID: 260858

3-(1-benzofuran-2-yl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C11H9N3O

Suppliers	Catalog Number
Enamine	EN300-49577

Database	Data ID
PubChem	24696319

M. W.

199.20866

CAS

Similarity

N/A

ID: 260859

5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine

$$$$ Data

M. F.

C11H11N3O

Suppliers	Catalog Number
Enamine	EN300-49578

Database	Data ID
PubChem	18072253

M. W.

201.22454

CAS

Similarity

N/A

ID: 260860

4-(benzylsulfanyl)benzoic acid

$$$$ Data

M. F.

C14H12O2S

Suppliers	Catalog Number
Enamine	EN300-49582

Database	Data ID
PubChem	309763

M. W.

244.30888

CAS

Similarity

N/A

ID: 260861

4-(3-bromophenyl)oxane-4-carboxylic acid

$$$$ Data

M. F.

C12H13BrO3

Suppliers	Catalog Number
Enamine	EN300-49583

Database	Data ID
PubChem	11254633

M. W.

285.13382

CAS

179420-77-0

Similarity

N/A

ID: 260862

2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

$$$$ Data

M. F.

C12H15NO2

Suppliers	Catalog Number
Enamine	EN300-49584

Database	Data ID
PubChem	16770079

M. W.

205.253

CAS

Similarity

N/A

ID: 260863

N-(pentan-3-yl)cyclopropanamine hydrochloride

$$$$ Data

M. F.

C8H18ClN

Suppliers	Catalog Number
Enamine	EN300-49585

Database	Data ID
PubChem	45791642

M. W.

163.68822

CAS

Similarity

N/A

ID: 260864

2-[(propan-2-yl)amino]acetic acid

$$$$ Data More

M. F.

C5H11NO2

Suppliers	Catalog Number
ChemBridge	4028411
Enamine	EN300-49586
Bide Pharmatech	BD262282

Database	Data ID
PubChem	414244

M. W.

117.14634

CAS

3183-21-9

Similarity

N/A

ID: 260865

methyl[(1-phenyl-1H-pyrazol-3-yl)methyl]amine hydrochloride

$$$$ Data

M. F.

C11H14ClN3

Suppliers	Catalog Number
Enamine	EN300-49587

Database	Data ID
PubChem	45791643

M. W.

223.70196

CAS

Similarity

N/A

ID: 260866

1-methanesulfonamidocyclohexane-1-carboxylic acid

$$$$ Data

M. F.

C8H15NO4S

Suppliers	Catalog Number
Enamine	EN300-49589

Database	Data ID
PubChem	7446991

M. W.

221.274

CAS

Similarity

N/A

ID: 260867

{1-phenyl-1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}methanamine hydrochloride

$$$$ Data

M. F.

C13H16ClN3

Suppliers	Catalog Number
Enamine	EN300-49590

Database	Data ID
PubChem	45791644

M. W.

249.73924

CAS

Similarity

N/A

ID: 260868

1-(2-bromoethyl)-2-methyl-1H-1,3-benzodiazole

$$$$ Data

M. F.

C10H11BrN2

Suppliers	Catalog Number
Enamine	EN300-49593

Database	Data ID
PubChem	23245301

M. W.

239.11174

CAS

Similarity

N/A

ID: 260869

4-[4-(aminomethyl)phenyl]-1λ⁶,4-thiomorpholine-1,1-dione

$$$$ Data

M. F.

C11H16N2O2S

Suppliers	Catalog Number
Enamine	EN300-49594

Database	Data ID
PubChem	43164174

M. W.

240.32194

CAS

Similarity

N/A

ID: 260870

2-[(6-methoxypyridin-3-yl)amino]ethan-1-ol

$$$$ Data

M. F.

C8H12N2O2

Suppliers	Catalog Number
Enamine	EN300-49596

Database	Data ID
PubChem	28564687

M. W.

168.19308

CAS

Similarity

N/A

ID: 260871

1-N-propylbenzene-1,3-diamine

$$$$ Data

M. F.

C9H14N2

Suppliers	Catalog Number
Enamine	EN300-49597

Database	Data ID
PubChem	12009373

M. W.

150.22086

CAS

Similarity

N/A

ID: 260872

2-(ethylsulfanyl)aniline

$$$$ Data

M. F.

C8H11NS

Suppliers	Catalog Number
ChemBridge	9071805
Enamine	EN300-49598

Database	Data ID
PubChem	10149009

M. W.

153.24464

CAS

13920-91-7

Similarity

N/A

ID: 260873

3-azabicyclo[3.1.0]hexane

$$$$ Data

M. F.

C5H9N

Suppliers	Catalog Number
Enamine	EN300-49605
A&J Pharmtech	AJA-O20276

Database	Data ID
PubChem	13150523

M. W.

83.13166

CAS

285-59-6

Similarity

N/A

ID: 260874

4-[2-(2-methylphenyl)ethyl]piperidine

$$$$ Data

M. F.

C14H21N

Suppliers	Catalog Number
Enamine	EN300-49607

Database	Data ID
PubChem	43146708

M. W.

203.32324

CAS

Similarity

N/A

ID: 260875

4,5-dimethyl 1-(piperidin-4-yl)-1H-1,2,3-triazole-4,5-dicarboxylate hydrochlorid...

$$$$ Data

M. F.

C11H17ClN4O4

Suppliers	Catalog Number
Enamine	EN300-49609

Database	Data ID
PubChem	45791646

M. W.

304.73008

CAS

Similarity

N/A

ID: 260876

2-[(2,5-dichlorophenyl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C9H8Cl2O2S

Suppliers	Catalog Number
Enamine	EN300-49613

Database	Data ID
PubChem	16772683

M. W.

251.12962

CAS

Similarity

N/A

ID: 260877

4-amino-N-(4-butylphenyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C16H20N2O2S

Suppliers	Catalog Number
Enamine	EN300-49614

Database	Data ID
PubChem	43378422

M. W.

304.4072

CAS

Similarity

N/A

ID: 260878

4-amino-N-(4-butylphenyl)-2-methoxybenzene-1-sulfonamide

$$$$ Data

M. F.

C17H22N2O3S

Suppliers	Catalog Number
Enamine	EN300-49615

Database	Data ID
PubChem	45791648

M. W.

334.43318

CAS

Similarity

N/A

ID: 260879

8-(methoxymethyl)-2,4-dihydro-1,3-benzodioxin-6-amine

$$$$ Data

M. F.

C10H13NO3

Suppliers	Catalog Number
Enamine	EN300-49616

Database	Data ID
PubChem	33789228

M. W.

195.21512

CAS

Similarity

N/A

ID: 260880

2-[(4-acetamidophenyl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C11H13NO3S

Suppliers	Catalog Number
Enamine	EN300-49619

Database	Data ID
PubChem	16794650

M. W.

239.29082

CAS

Similarity

N/A

ID: 260881

4-amino-N-(3,4-dimethoxyphenyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C14H16N2O4S

Suppliers	Catalog Number
Enamine	EN300-49620

Database	Data ID
PubChem	28519438

M. W.

308.35284

CAS

Similarity

N/A

ID: 260882

2-[(4-methoxyphenyl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C10H12O3S

Suppliers	Catalog Number
Enamine	EN300-49621

Database	Data ID
PubChem	16787037

M. W.

212.26548

CAS

Similarity

N/A

ID: 260883

4-amino-N-(3-chloro-4-fluorophenyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C12H10ClFN2O2S

Suppliers	Catalog Number
Enamine	EN300-49622

Database	Data ID
PubChem	28938084

M. W.

300.7364032

CAS

Similarity

N/A

ID: 260884

4-amino-N-(3-chloro-4-fluorophenyl)-2-methoxybenzene-1-sulfonamide

$$$$ Data

M. F.

C13H12ClFN2O3S

Suppliers	Catalog Number
Enamine	EN300-49623

Database	Data ID
PubChem	43258689

M. W.

330.7623832

CAS

Similarity

N/A

ID: 260885

4-amino-N-(3,5-dimethoxyphenyl)-2-methoxybenzene-1-sulfonamide

$$$$ Data

M. F.

C15H18N2O5S

Suppliers	Catalog Number
Enamine	EN300-49624

Database	Data ID
PubChem	45791649

M. W.

338.37882

CAS

Similarity

N/A

ID: 260886

4-amino-N-(3,5-dimethoxyphenyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C14H16N2O4S

Suppliers	Catalog Number
Enamine	EN300-49625

Database	Data ID
PubChem	19353512

M. W.

308.35284

CAS

Similarity

N/A

ID: 260887

2-[(2-chlorophenyl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C9H9ClO2S

Suppliers	Catalog Number
Enamine	EN300-49626

Database	Data ID
PubChem	16782635

M. W.

216.68456

CAS

Similarity

N/A

ID: 260888

4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

$$$$ Data

M. F.

C13H10ClF3N2O2S

Suppliers	Catalog Number
Enamine	EN300-49628

Database	Data ID
PubChem	10383268

M. W.

350.7439096

CAS

Similarity

N/A

ID: 260889

4-amino-N-{4-[ethyl(2-hydroxyethyl)amino]phenyl}benzene-1-sulfonamide

$$$$ Data

M. F.

C16H21N3O3S

Suppliers	Catalog Number
Enamine	EN300-49629

Database	Data ID
PubChem	45791650

M. W.

335.42124

CAS

Similarity

N/A

ID: 260890

methyl 5-(4-aminobenzenesulfonamido)-2-chlorobenzoate

$$$$ Data

M. F.

C14H13ClN2O4S

Suppliers	Catalog Number
Enamine	EN300-49632

Database	Data ID
PubChem	45791651

M. W.

340.78202

CAS

Similarity

N/A

ID: 260891

4-amino-N-(2,4-dichlorophenyl)-2-methoxybenzene-1-sulfonamide

$$$$ Data

M. F.

C13H12Cl2N2O3S

Suppliers	Catalog Number
Enamine	EN300-49634

Database	Data ID
PubChem	43258209

M. W.

347.21698

CAS

Similarity

N/A

ID: 260892

4-amino-N-[(4-chlorophenyl)methyl]benzene-1-sulfonamide

$$$$ Data

M. F.

C13H13ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-49635

Database	Data ID
PubChem	9150144

M. W.

296.77252

CAS

Similarity

N/A

ID: 260893

2-methyl-1H-pyrrole

$$$$ Data

M. F.

C5H7N

Suppliers	Catalog Number
Enamine	EN300-49636
Bide Pharmatech	BD76680
A&J Pharmtech	AJA-O34300

Database	Data ID
PubChem	12489

M. W.

81.11578

CAS

636-41-9

Similarity

N/A

ID: 260894

2-cyclopropyl-1,1,3-trioxo-2,3-dihydro-1λ⁶,2-benzothiazole-6-carboxy...

$$$$ Data

M. F.

C11H9NO5S

Suppliers	Catalog Number
Enamine	EN300-49641

Database	Data ID
PubChem	28259900

M. W.

267.25786

CAS

Similarity

N/A

ID: 260895

6-ethyl-2-(pyrrolidin-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C12H15N3OS

Suppliers	Catalog Number
Enamine	EN300-49642

Database	Data ID
PubChem	852929

M. W.

249.332

CAS

Similarity

N/A

ID: 260896

[6-(4-phenoxyphenoxy)pyridin-3-yl]methanamine

$$$$ Data

M. F.

C18H16N2O2

Suppliers	Catalog Number
Enamine	EN300-49644

Database	Data ID
PubChem	16786626

M. W.

292.33184

CAS

Similarity

N/A

ID: 260897

6-(methylamino)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
Enamine	EN300-49645

Database	Data ID
PubChem	22271415

M. W.

152.15062

CAS

Similarity

N/A

ID: 260898

[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine

$$$$ Data

M. F.

C9H9N3O

Suppliers	Catalog Number
Enamine	EN300-49646

Database	Data ID
PubChem	39869198

M. W.

175.18726

CAS

Similarity

N/A

ID: 260899

2-(benzyloxy)-4-methylaniline

$$$$ Data

M. F.

C14H15NO

Suppliers	Catalog Number
Enamine	EN300-49648

Database	Data ID
PubChem	10987611

M. W.

213.275

CAS

220985-61-5

Similarity

N/A

ID: 260900

3-bromo-2-hydroxy-5-methylbenzoic acid

$$$$ Data

M. F.

C8H7BrO3

Suppliers	Catalog Number
Enamine	EN300-49649

Database	Data ID
PubChem	12540046

M. W.

231.04338

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