N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide

C12H16N4O2S — CID 61124758

IUPACN-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide
SMILESCN1CCC(C#N)(NS(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C12H16N4O2S/c1-16-7-4-12(10-13,5-8-16)15-19(17,18)11-3-2-6-14-9-11/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyNPPAZNMHJRWYFL-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.35
Rot. Bonds3

About N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide

N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide (PubChem CID 61124758) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide
PubChem CID61124758
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide
SMILESCN1CCC(C#N)(NS(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C12H16N4O2S/c1-16-7-4-12(10-13,5-8-16)15-19(17,18)11-3-2-6-14-9-11/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyNPPAZNMHJRWYFL-UHFFFAOYSA-N
XLogP0.35
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
CID 47331328
N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide
CID 61128072
N-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide
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N-(1-cyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84599411
1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 139006914
[1-(pyridin-3-ylsulfonylamino)cyclohexyl] formate
CID 57222723
6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide
CID 114613786
1-(pyridin-3-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61125063
N-(4-cyanocyclohexyl)pyridine-3-sulfonamide
CID 116816994
N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 6710490
N-propylpyridine-3-sulfonamide
CID 43258995
N-(1-cyanocyclopentyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62063500

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide (CID 61124758) is N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide is CN1CCC(C#N)(NS(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide?
The InChIKey is NPPAZNMHJRWYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16-7-4-12(10-13,5-8-16)15-19(17,18)11-3-2-6-14-9-11/h2-3,6,9,15H,4-5,7-8H2,1H3.
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide?
N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 61124758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).