(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

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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).