(1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

C18H24N2O3S — CID 98141802

IUPAC(1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESO=C(NC1CCCC1)[C@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24N2O3S/c21-18(19-14-6-4-5-7-14)17-13-10-11-15(12-13)20(17)24(22,23)16-8-2-1-3-9-16/h1-3,8-9,13-15,17H,4-7,10-12H2,(H,19,21)/t13-,15-,17+/m0/s1
InChIKeyRQGGTHLYYOSNLT-JLJPHGGASA-N
MW348.47 g/mol
LogP2.29
Rot. Bonds4

About (1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

(1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 98141802) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is (1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound Name(1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID98141802
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name(1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESO=C(NC1CCCC1)[C@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24N2O3S/c21-18(19-14-6-4-5-7-14)17-13-10-11-15(12-13)20(17)24(22,23)16-8-2-1-3-9-16/h1-3,8-9,13-15,17H,4-7,10-12H2,(H,19,21)/t13-,15-,17+/m0/s1
InChIKeyRQGGTHLYYOSNLT-JLJPHGGASA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide 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

N-[(1R,3R)-3-((S)-1-Amino-2-oxo-2-pyrrolidin-1-yl-ethyl)-cyclopentyl]-4-methanesulfonyl-benzenesulfonamide
CID 9823963
N-[(1S,3R)-3-((S)-1-Amino-2-oxo-2-pyrrolidin-1-yl-ethyl)-cyclopentyl]-4-methanesulfonyl-benzenesulfonamide
CID 44381910
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
(S)-N-propyl-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 7679666
1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-D-prolyl-L-leucylglycinamide
CID 16396689
1-Benzenesulfonyl-piperidine-2-carboxylic acid (3-phenyl-propyl)-amide
CID 44281103
N-[(1S,3S)-3-((S)-1-Amino-2-oxo-2-pyrrolidin-1-yl-ethyl)-cyclopentyl]-4-methanesulfonyl-benzenesulfonamide
CID 44381862
4-N-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]benzene-1,4-disulfonamide
CID 44381884
4-N-[(1S,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]benzene-1,4-disulfonamide
CID 44381919
N-[(1S,3S)-3-((S)-1-Amino-2-oxo-2-pyrrolidin-1-yl-ethyl)-cyclopentyl]-2-methanesulfonyl-benzenesulfonamide
CID 44382065
1-N-[(1S,3S)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 44382133
4-N-[(1S,3S)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]benzene-1,4-disulfonamide
CID 44382134

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of (1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 98141802) is (1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for (1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for (1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is O=C(NC1CCCC1)[C@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of (1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is RQGGTHLYYOSNLT-JLJPHGGASA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-18(19-14-6-4-5-7-14)17-13-10-11-15(12-13)20(17)24(22,23)16-8-2-1-3-9-16/h1-3,8-9,13-15,17H,4-7,10-12H2,(H,19,21)/t13-,15-,17+/m0/s1.
What are the key properties of (1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
(1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 98141802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).