(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide

C17H26N2O3S — CID 38767342

IUPAC(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
SMILESCCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H26N2O3S/c1-2-3-7-12-18-17(20)15-9-8-13-19(14-15)23(21,22)16-10-5-4-6-11-16/h4-6,10-11,15H,2-3,7-9,12-14H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyZIUDRAUKQJYNPR-HNNXBMFYSA-N
MW338.47 g/mol
LogP2.39
Rot. Bonds7

About (3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide

(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide (PubChem CID 38767342) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
PubChem CID38767342
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
SMILESCCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H26N2O3S/c1-2-3-7-12-18-17(20)15-9-8-13-19(14-15)23(21,22)16-10-5-4-6-11-16/h4-6,10-11,15H,2-3,7-9,12-14H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyZIUDRAUKQJYNPR-HNNXBMFYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-1-(benzenesulfonyl)-N-pentylpiperidine-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-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
CID 134025693
1-(benzenesulfonyl)-N-[3-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 133167768
1-(benzenesulfonyl)-N-[3-(2-hydroxyethoxy)propyl]piperidine-3-carboxamide
CID 75451639
1-(benzenesulfonyl)-N-[3-(4-hydroxyphenyl)propyl]piperidine-3-carboxamide
CID 86972828
(3S)-1-(benzenesulfonyl)-N-(3-cyclopentyloxypropyl)piperidine-3-carboxamide
CID 99622037
(3R)-1-(benzenesulfonyl)-N-[3-(2-ethoxyphenyl)propyl]piperidine-3-carboxamide
CID 100659406
1-(benzenesulfonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-3-carboxamide
CID 133167879
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
CID 40633716
1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
CID 133254995
(3S)-N-butyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 30382241
1-(benzenesulfonyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]piperidine-3-carboxamide
CID 46438856

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide (CID 38767342) is (3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide is CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide?
The InChIKey is ZIUDRAUKQJYNPR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-3-7-12-18-17(20)15-9-8-13-19(14-15)23(21,22)16-10-5-4-6-11-16/h4-6,10-11,15H,2-3,7-9,12-14H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide?
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide is sourced from PubChem (CID 38767342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).