Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H10BrNO2

Suppliers	Catalog Number
Enamine	EN300-82793

Database	Data ID
PubChem	22502717

M. W.

232.0745

CAS

Similarity

N/A

ID: 277852

3-methyl-1λ⁶,4-thiomorpholine-1,1-dione

$$$$ Data

M. F.

C5H11NO2S

Suppliers	Catalog Number
Enamine	EN300-82794

Database	Data ID
PubChem	14953855

M. W.

149.21134

CAS

Similarity

N/A

ID: 277853

2,2-difluorocyclohexan-1-amine

$$$$ Data

M. F.

C6H11F2N

Suppliers	Catalog Number
Enamine	EN300-82797

Database	Data ID
PubChem	53400950

M. W.

135.1550464

CAS

Similarity

N/A

ID: 277854

2,2-difluorocyclopentan-1-amine

$$$$ Data

M. F.

C5H9F2N

Suppliers	Catalog Number
Enamine	EN300-82798

Database	Data ID
PubChem	53302317

M. W.

121.1284664

CAS

Similarity

N/A

ID: 277855

3,3-difluorocyclopentan-1-amine

$$$$ Data

M. F.

C5H9F2N

Suppliers	Catalog Number
Enamine	EN300-82799

Database	Data ID
PubChem	53302322

M. W.

121.1284664

CAS

Similarity

N/A

ID: 277856

3,3-difluorocyclohexan-1-amine

$$$$ Data

M. F.

C6H11F2N

Suppliers	Catalog Number
Enamine	EN300-82800

Database	Data ID
PubChem	53401070

M. W.

135.1550464

CAS

Similarity

N/A

ID: 277857

4-fluorocyclohexan-1-amine

$$$$ Data

M. F.

C6H12FN

Suppliers	Catalog Number
Enamine	EN300-82801

Database	Data ID
PubChem	21027526

M. W.

117.1645832

CAS

Similarity

N/A

ID: 277858

3-(trifluoromethyl)cyclopentan-1-amine

$$$$ Data

M. F.

C6H10F3N

Suppliers	Catalog Number
Enamine	EN300-82804

Database	Data ID
PubChem	54594772

M. W.

153.1455096

CAS

Similarity

N/A

ID: 277859

2,2-difluoro-3-methylcyclopropane-1-carboxylic acid

$$$$ Data

M. F.

C5H6F2O2

Suppliers	Catalog Number
Enamine	EN300-82806

Database	Data ID
PubChem	54594773

M. W.

136.0967464

CAS

Similarity

N/A

ID: 277860

2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid

$$$$ Data

M. F.

C10H8F2O2

Suppliers	Catalog Number
Enamine	EN300-82807

Database	Data ID
PubChem	12801185

M. W.

198.1661264

CAS

Similarity

N/A

ID: 277861

(2,2-difluorocyclopropyl)methanamine

$$$$ Data

M. F.

C4H7F2N

Suppliers	Catalog Number
Enamine	EN300-82808
A&J Pharmtech	AJA-O35941

Database	Data ID
PubChem	21072530

M. W.

107.1018864

CAS

847926-81-2

Similarity

N/A

ID: 277862

2-(2-bromoethyl)-2-methyl-1,3-dioxolane

$$$$ Data

M. F.

C6H11BrO2

Suppliers	Catalog Number
Enamine	EN300-82809

Database	Data ID
PubChem	11805619

M. W.

195.05434

CAS

Similarity

N/A

ID: 277863

furan-3-sulfonamide

$$$$ Data

M. F.

C4H5NO3S

Suppliers	Catalog Number
Enamine	EN300-82811

Database	Data ID
PubChem	22179283

M. W.

147.1524

CAS

Similarity

N/A

ID: 277864

1-(furan-3-sulfonyl)piperazine

$$$$ Data

M. F.

C8H12N2O3S

Suppliers	Catalog Number
Enamine	EN300-82812

Database	Data ID
PubChem	54594774

M. W.

216.25748

CAS

Similarity

N/A

ID: 277865

1-(3-bromofuran-2-yl)ethan-1-one

$$$$ Data

M. F.

C6H5BrO2

Suppliers	Catalog Number
Enamine	EN300-82813

Database	Data ID
PubChem	11321414

M. W.

189.0067

CAS

Similarity

N/A

ID: 277866

3-(2-bromoethyl)furan

$$$$ Data

M. F.

C6H7BrO

Suppliers	Catalog Number
Enamine	EN300-82816

Database	Data ID
PubChem	642101

M. W.

175.02318

CAS

Similarity

N/A

ID: 277867

3-acetyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonyl chloride

$$$$ Data

M. F.

C12H14ClNO3S

Suppliers	Catalog Number
Enamine	EN300-82817

Database	Data ID
PubChem	11346737

M. W.

287.76246

CAS

Similarity

N/A

ID: 277868

3-carbamoyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonyl chloride

$$$$ Data

M. F.

C11H13ClN2O3S

Suppliers	Catalog Number
Enamine	EN300-82818

Database	Data ID
PubChem	54594775

M. W.

288.75052

CAS

Similarity

N/A

ID: 277869

3-propanoyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonyl chloride

$$$$ Data

M. F.

C13H16ClNO3S

Suppliers	Catalog Number
Enamine	EN300-82819

Database	Data ID
PubChem	54594776

M. W.

301.78904

CAS

Similarity

N/A

ID: 277870

3-(2-methylpropanoyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonyl chloride

$$$$ Data

M. F.

C14H18ClNO3S

Suppliers	Catalog Number
Enamine	EN300-82820

Database	Data ID
PubChem	54594777

M. W.

315.81562

CAS

Similarity

N/A

ID: 277871

5-fluoropyridine-2-sulfonyl fluoride

$$$$ Data

M. F.

C5H3F2NO2S

Suppliers	Catalog Number
Enamine	EN300-82821

Database	Data ID
PubChem	54594778

M. W.

179.1446264

CAS

Similarity

N/A

ID: 277872

(2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C6H8F3NO2

Suppliers	Catalog Number
Enamine	EN300-82822

Database	Data ID
PubChem	15953693

M. W.

183.1284296

CAS

Similarity

N/A

ID: 277873

(1R)-1-(oxolan-2-yl)ethan-1-amine

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
Enamine	EN300-82823

Database	Data ID
PubChem	54594779

M. W.

115.17352

CAS

Similarity

N/A

ID: 277874

(1S)-1-(oxolan-2-yl)ethan-1-amine

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
Enamine	EN300-82824

Database	Data ID
PubChem	54594780

M. W.

115.17352

CAS

Similarity

N/A

ID: 277875

octahydrocyclopenta[c]pyrrole-4-carboxylic acid

$$$$ Data

M. F.

C8H13NO2

Suppliers	Catalog Number
Enamine	EN300-82825

Database	Data ID
PubChem	54594781

M. W.

155.19432

CAS

Similarity

N/A

ID: 277876

2-[(tert-butoxy)carbonyl]-octahydrocyclopenta[c]pyrrole-4-carboxylic acid

$$$$ Data

M. F.

C13H21NO4

Suppliers	Catalog Number
Enamine	EN300-82826

Database	Data ID
PubChem	54594782

M. W.

255.31014

CAS

Similarity

N/A

ID: 277877

4-amino-octahydrocyclopenta[c]pyrrole-4-carboxylic acid

$$$$ Data

M. F.

C8H14N2O2

Suppliers	Catalog Number
Enamine	EN300-82827

Database	Data ID
PubChem	54594783

M. W.

170.20896

CAS

Similarity

N/A

ID: 277878

octahydro-1H-isoindole-4-carboxylic acid

$$$$ Data

M. F.

C9H15NO2

Suppliers	Catalog Number
Enamine	EN300-82828

Database	Data ID
PubChem	54594784

M. W.

169.2209

CAS

Similarity

N/A

ID: 277879

2-[(tert-butoxy)carbonyl]-octahydro-1H-isoindole-4-carboxylic acid

$$$$ Data

M. F.

C14H23NO4

Suppliers	Catalog Number
Enamine	EN300-82829

Database	Data ID
PubChem	54594785

M. W.

269.33672

CAS

Similarity

N/A

ID: 277880

4-amino-octahydro-1H-isoindole-4-carboxylic acid

$$$$ Data

M. F.

C9H16N2O2

Suppliers	Catalog Number
Enamine	EN300-82830

Database	Data ID
PubChem	54594786

M. W.

184.23554

CAS

Similarity

N/A

ID: 277881

methyl 5-(chlorosulfonyl)-2-methoxybenzoate

$$$$ Data

M. F.

C9H9ClO5S

Suppliers	Catalog Number
Enamine	EN300-82832

Database	Data ID
PubChem	43436733

M. W.

264.68276

CAS

Similarity

N/A

ID: 277882

3-fluoro-N-(furan-2-ylmethyl)-4-methoxyaniline

$$$$ Data

M. F.

C12H12FNO2

Suppliers	Catalog Number
Enamine	EN300-82833

Database	Data ID
PubChem	43380617

M. W.

221.2275832

CAS

Similarity

N/A

ID: 277883

1-(2-fluorophenyl)-2-phenylethan-1-one

$$$$ Data

M. F.

C14H11FO

Suppliers	Catalog Number
Enamine	EN300-82834

Database	Data ID
PubChem	12693379

M. W.

214.2349432

CAS

Similarity

N/A

ID: 277884

[cyclopropyl(4-fluorophenyl)methyl](methyl)amine

$$$$ Data

M. F.

C11H14FN

Suppliers	Catalog Number
Enamine	EN300-82835

Database	Data ID
PubChem	43481306

M. W.

179.2339632

CAS

Similarity

N/A

ID: 277885

2,2-dimethylazetidine

$$$$ Data

M. F.

C5H11N

Suppliers	Catalog Number
Enamine	EN300-82836

Database	Data ID
PubChem	25159190

M. W.

85.14754

CAS

Similarity

N/A

ID: 277886

{2-[2-(dimethylamino)ethoxy]pyridin-3-yl}methanamine

$$$$ Data

M. F.

C10H17N3O

Suppliers	Catalog Number
Enamine	EN300-82837

Database	Data ID
PubChem	53534394

M. W.

195.26148

CAS

Similarity

N/A

ID: 277887

thieno[3,2-b]furan-5-ylmethanamine

$$$$ Data

M. F.

C7H7NOS

Suppliers	Catalog Number
Enamine	EN300-82838

Database	Data ID
PubChem	54594787

M. W.

153.20158

CAS

Similarity

N/A

ID: 277888

3-(dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid

$$$$ Data

M. F.

C9H13NO3

Suppliers	Catalog Number
Enamine	EN300-82839

Database	Data ID
PubChem	23006345

M. W.

183.20442

CAS

Similarity

N/A

ID: 277889

2-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid

$$$$ Data

M. F.

C10H10O3

Suppliers	Catalog Number
Enamine	EN300-82840

Database	Data ID
PubChem	14913071

M. W.

178.1846

CAS

Similarity

N/A

ID: 277890

3-[(4-aminophenyl)methyl]pyrrolidine-2,5-dione

$$$$ Data

M. F.

C11H12N2O2

Suppliers	Catalog Number
Enamine	EN300-82841

Database	Data ID
PubChem	53613696

M. W.

204.22518

CAS

Similarity

N/A

ID: 277891

tert-butyl N-(4-aminocyclohexyl)carbamate

$$$$ Data

M. F.

C11H22N2O2

Suppliers	Catalog Number
Enamine	EN300-82842
Bide Pharmatech	BD13516
A&J Pharmtech	AJA-O15640 AJA-O17055 AJA-O17059

Database	Data ID
PubChem	2756050

M. W.

214.30458

CAS

177906-48-8

Similarity

N/A

ID: 277892

6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

$$$$ Data

M. F.

C8H6F3NO3

Suppliers	Catalog Number
Enamine	EN300-82844

Database	Data ID
PubChem	21253041

M. W.

221.1333496

CAS

Similarity

N/A

ID: 277893

2-(4-fluorophenyl)-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C14H7FN2O4

Suppliers	Catalog Number
Enamine	EN300-82859

Database	Data ID
PubChem	835356

M. W.

286.2147832

CAS

Similarity

N/A

ID: 277894

1-benzyl-N-(4-methanesulfonylphenyl)-1H-pyrazole-4-carboxamide

$$$$ Data

M. F.

C18H17N3O3S

Suppliers	Catalog Number
Enamine	EN300-82860

Database	Data ID
PubChem	54594788

M. W.

355.41088

CAS

Similarity

N/A

ID: 277895

N-ethyl-1-[6-methyl-2-(propan-2-yl)pyrimidin-4-yl]piperidin-4-amine

$$$$ Data

M. F.

C15H26N4

Suppliers	Catalog Number
Enamine	EN300-82867

Database	Data ID
PubChem	53534957

M. W.

262.39374

CAS

Similarity

N/A

ID: 277896

3-(4-methyl-1,3-thiazol-2-yl)benzoic acid

$$$$ Data

M. F.

C11H9NO2S

Suppliers	Catalog Number
Enamine	EN300-82868

Database	Data ID
PubChem	215202

M. W.

219.25966

CAS

Similarity

N/A

ID: 277897

3-(5-methyl-4H-1,2,4-triazol-3-yl)benzonitrile

$$$$ Data

M. F.

C10H8N4

Suppliers	Catalog Number
Enamine	EN300-82872

Database	Data ID
PubChem	21357840

M. W.

184.19732

CAS

Similarity

N/A

ID: 277898

5-amino-2-(propan-2-yl)pyrimidine-4-carboxamide

$$$$ Data

M. F.

C8H12N4O

Suppliers	Catalog Number
Enamine	EN300-82873

Database	Data ID
PubChem	54594789

M. W.

180.20708

CAS

Similarity

N/A

ID: 277899

3-amino-1-(4-chlorophenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H11ClN2O

Suppliers	Catalog Number
Enamine	EN300-82874

Database	Data ID
PubChem	21935541

M. W.

210.66014

CAS

Similarity

N/A

ID: 277900

2-(4-fluoro-3-methylphenyl)-1H-imidazole hydrochloride

$$$$ Data

M. F.

C10H10ClFN2

Suppliers	Catalog Number
Enamine	EN300-82875

Database	Data ID
PubChem	53534932

M. W.

212.6512032

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