(5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid

C9H8N2O2S — CID 99996019

IUPAC(5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid
SMILESN#Cc1c(N)sc2c1C[C@H](C(=O)O)C2
InChIInChI=1S/C9H8N2O2S/c10-3-6-5-1-4(9(12)13)2-7(5)14-8(6)11/h4H,1-2,11H2,(H,12,13)/t4-/m0/s1
InChIKeyTZPXGRASTBADTA-BYPYZUCNSA-N
MW208.24 g/mol
LogP1.00
Rot. Bonds1

About (5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid

(5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid (PubChem CID 99996019) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is (5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid.

Molecular Properties

Compound Name(5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid
PubChem CID99996019
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name(5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid
SMILESN#Cc1c(N)sc2c1C[C@H](C(=O)O)C2
InChIInChI=1S/C9H8N2O2S/c10-3-6-5-1-4(9(12)13)2-7(5)14-8(6)11/h4H,1-2,11H2,(H,12,13)/t4-/m0/s1
InChIKeyTZPXGRASTBADTA-BYPYZUCNSA-N
XLogP1.00
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-6-yl)methyl acetate
CID 58152454
(6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
CID 122485221
6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
CID 601417
2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
CID 605976
2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 2887397
2-amino-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine-3-carbonitrile
CID 153377652
2-amino-3-cyano-N-cyclohexyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 82098264
2-amino-6-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
CID 134600648
2-amino-6-(3-methylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 82098250
2-amino-6-(pyridine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 82098267
2-amino-5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-3-carbonitrile
CID 130239743

Frequently Asked Questions

What is the IUPAC name of (5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid?
The IUPAC name of (5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid (CID 99996019) is (5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid.
What is the SMILES notation for (5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid?
The canonical SMILES for (5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid is N#Cc1c(N)sc2c1C[C@H](C(=O)O)C2.
What is the InChIKey of (5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid?
The InChIKey is TZPXGRASTBADTA-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H8N2O2S/c10-3-6-5-1-4(9(12)13)2-7(5)14-8(6)11/h4H,1-2,11H2,(H,12,13)/t4-/m0/s1.
What are the key properties of (5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid?
(5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylic acid is sourced from PubChem (CID 99996019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).