4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide

C15H23N3O2S — CID 80641981

IUPAC4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCCC3CCCC32)cc1N
InChIInChI=1S/C15H23N3O2S/c1-17-21(19,20)15-8-7-12(10-13(15)16)18-9-3-5-11-4-2-6-14(11)18/h7-8,10-11,14,17H,2-6,9,16H2,1H3
InChIKeyVHZZROPPDLTBME-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.95
Rot. Bonds3

About 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide (PubChem CID 80641981) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide
PubChem CID80641981
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCCC3CCCC32)cc1N
InChIInChI=1S/C15H23N3O2S/c1-17-21(19,20)15-8-7-12(10-13(15)16)18-9-3-5-11-4-2-6-14(11)18/h7-8,10-11,14,17H,2-6,9,16H2,1H3
InChIKeyVHZZROPPDLTBME-UHFFFAOYSA-N
XLogP1.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide 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-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 80646144
2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 80645856
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 80645527
1-[2-amino-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanone
CID 104528687
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminobenzoic acid
CID 102727707
5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminobenzoic acid
CID 102727692
2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide
CID 80641354
2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 80645810
5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline
CID 86323809
2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide
CID 80646358
2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide
CID 80640866
2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 103355271

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide (CID 80641981) is 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCCC3CCCC32)cc1N.
What is the InChIKey of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide?
The InChIKey is VHZZROPPDLTBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-17-21(19,20)15-8-7-12(10-13(15)16)18-9-3-5-11-4-2-6-14(11)18/h7-8,10-11,14,17H,2-6,9,16H2,1H3.
What are the key properties of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide?
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide is sourced from PubChem (CID 80641981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).