1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C13H19N3O3S — CID 2987428

IUPAC1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)16-8-4-5-11(10-16)13(17)15-9-12-6-2-3-7-14-12/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,15,17)
InChIKeyCRZNLHGYSRBOQL-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.37
Rot. Bonds4

About 1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 2987428) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID2987428
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)16-8-4-5-11(10-16)13(17)15-9-12-6-2-3-7-14-12/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,15,17)
InChIKeyCRZNLHGYSRBOQL-UHFFFAOYSA-N
XLogP0.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 2987428) is 1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1.
What is the InChIKey of 1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is CRZNLHGYSRBOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-20(18,19)16-8-4-5-11(10-16)13(17)15-9-12-6-2-3-7-14-12/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,15,17).
What are the key properties of 1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 2987428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).