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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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).