6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide

C13H18N4O2S — CID 115650598

IUPAC6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(C#N)nc2)CCN1C
InChIInChI=1S/C13H18N4O2S/c1-10-7-11(5-6-17(10)2)16-20(18,19)13-4-3-12(8-14)15-9-13/h3-4,9-11,16H,5-7H2,1-2H3
InChIKeyKTWCTBNOUJHMIQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.71
Rot. Bonds3

About 6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide

6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide (PubChem CID 115650598) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide
PubChem CID115650598
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(C#N)nc2)CCN1C
InChIInChI=1S/C13H18N4O2S/c1-10-7-11(5-6-17(10)2)16-20(18,19)13-4-3-12(8-14)15-9-13/h3-4,9-11,16H,5-7H2,1-2H3
InChIKeyKTWCTBNOUJHMIQ-UHFFFAOYSA-N
XLogP0.71
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 115602590
6-cyano-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 103653105
5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614625
cis-(1R,3S)-3-[(6-cyano-3-pyridinyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321509
6-cyano-N-cyclooctylpyridine-3-sulfonamide
CID 115602393
N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide
CID 79032927
6-cyano-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 113320215
6-cyano-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 114613875
6-cyano-N-(thiolan-3-yl)pyridine-3-sulfonamide
CID 103698000
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 103697791
6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 114613912
5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115752142

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide (CID 115650598) is 6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide is CC1CC(NS(=O)(=O)c2ccc(C#N)nc2)CCN1C.
What is the InChIKey of 6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide?
The InChIKey is KTWCTBNOUJHMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10-7-11(5-6-17(10)2)16-20(18,19)13-4-3-12(8-14)15-9-13/h3-4,9-11,16H,5-7H2,1-2H3.
What are the key properties of 6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide?
6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115650598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).