(3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide

C18H23N3O3S — CID 97348403

IUPAC(3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide
SMILESN#CC1(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CCCC1
InChIInChI=1S/C18H23N3O3S/c19-14-18(10-4-5-11-18)17(22)21-12-6-9-16(13-21)25(23,24)20-15-7-2-1-3-8-15/h1-3,7-8,16,20H,4-6,9-13H2/t16-/m0/s1
InChIKeyQXKPLCGMLQMIRE-INIZCTEOSA-N
MW361.47 g/mol
LogP2.50
Rot. Bonds4

About (3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide

(3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide (PubChem CID 97348403) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide
PubChem CID97348403
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide
SMILESN#CC1(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CCCC1
InChIInChI=1S/C18H23N3O3S/c19-14-18(10-4-5-11-18)17(22)21-12-6-9-16(13-21)25(23,24)20-15-7-2-1-3-8-15/h1-3,7-8,16,20H,4-6,9-13H2/t16-/m0/s1
InChIKeyQXKPLCGMLQMIRE-INIZCTEOSA-N
XLogP2.50
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide 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-phenyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 75476115
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide
CID 97348370
methyl 1-(1-cyanocycloheptanecarbonyl)piperidine-3-carboxylate
CID 115534455
1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 95768398
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclopentane-1-carbonitrile
CID 60718273
N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide
CID 75476106
3-[[(3S)-3-(phenylsulfamoyl)piperidin-1-yl]methyl]benzoic acid
CID 164638668
ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 144937315
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
(3S)-1-(imidazo[1,5-a]pyridine-7-carbonyl)-N-phenylpiperidine-3-sulfonamide
CID 97348345
(3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide
CID 97348271
1-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)cyclohexane-1-carbonitrile
CID 63153826

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide?
The IUPAC name of (3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide (CID 97348403) is (3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide?
The canonical SMILES for (3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide is N#CC1(C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CCCC1.
What is the InChIKey of (3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide?
The InChIKey is QXKPLCGMLQMIRE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O3S/c19-14-18(10-4-5-11-18)17(22)21-12-6-9-16(13-21)25(23,24)20-15-7-2-1-3-8-15/h1-3,7-8,16,20H,4-6,9-13H2/t16-/m0/s1.
What are the key properties of (3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide?
(3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide has a molecular weight of 361.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide is sourced from PubChem (CID 97348403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).