N-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide

C12H16N4O2S — CID 86802955

IUPACN-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ccc(C#N)nc2)C1
InChIInChI=1S/C12H16N4O2S/c1-19(17,18)15-11-3-2-6-16(9-11)12-5-4-10(7-13)14-8-12/h4-5,8,11,15H,2-3,6,9H2,1H3
InChIKeyAITACOZMMPIQEP-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.47
Rot. Bonds3

About N-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide

N-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide (PubChem CID 86802955) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide
PubChem CID86802955
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2ccc(C#N)nc2)C1
InChIInChI=1S/C12H16N4O2S/c1-19(17,18)15-11-3-2-6-16(9-11)12-5-4-10(7-13)14-8-12/h4-5,8,11,15H,2-3,6,9H2,1H3
InChIKeyAITACOZMMPIQEP-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide (CID 86802955) is N-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(c2ccc(C#N)nc2)C1.
What is the InChIKey of N-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is AITACOZMMPIQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-19(17,18)15-11-3-2-6-16(9-11)12-5-4-10(7-13)14-8-12/h4-5,8,11,15H,2-3,6,9H2,1H3.
What are the key properties of N-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide?
N-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 86802955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).