1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide

C16H22N4O2S — CID 86789283

IUPAC1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide
SMILESN#Cc1ccc(N2CCCC(S(=O)(=O)NC3CCCC3)C2)cn1
InChIInChI=1S/C16H22N4O2S/c17-10-14-7-8-15(11-18-14)20-9-3-6-16(12-20)23(21,22)19-13-4-1-2-5-13/h7-8,11,13,16,19H,1-6,9,12H2
InChIKeySCAAADGAMNMKSG-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.78
Rot. Bonds4

About 1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide

1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide (PubChem CID 86789283) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide
PubChem CID86789283
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide
SMILESN#Cc1ccc(N2CCCC(S(=O)(=O)NC3CCCC3)C2)cn1
InChIInChI=1S/C16H22N4O2S/c17-10-14-7-8-15(11-18-14)20-9-3-6-16(12-20)23(21,22)19-13-4-1-2-5-13/h7-8,11,13,16,19H,1-6,9,12H2
InChIKeySCAAADGAMNMKSG-UHFFFAOYSA-N
XLogP1.78
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide?
The IUPAC name of 1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide (CID 86789283) is 1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide?
The canonical SMILES for 1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide is N#Cc1ccc(N2CCCC(S(=O)(=O)NC3CCCC3)C2)cn1.
What is the InChIKey of 1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide?
The InChIKey is SCAAADGAMNMKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c17-10-14-7-8-15(11-18-14)20-9-3-6-16(12-20)23(21,22)19-13-4-1-2-5-13/h7-8,11,13,16,19H,1-6,9,12H2.
What are the key properties of 1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide?
1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide has a molecular weight of 334.45 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide is sourced from PubChem (CID 86789283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).