N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide

C12H19N3O2S — CID 54973719

IUPACN-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide
SMILESCc1cccc(NS(=O)(=O)CC2CCCCN2)n1
InChIInChI=1S/C12H19N3O2S/c1-10-5-4-7-12(14-10)15-18(16,17)9-11-6-2-3-8-13-11/h4-5,7,11,13H,2-3,6,8-9H2,1H3,(H,14,15)
InChIKeyPDZOVMIYUDZHGI-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.27
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide

N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 54973719) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID54973719
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide
SMILESCc1cccc(NS(=O)(=O)CC2CCCCN2)n1
InChIInChI=1S/C12H19N3O2S/c1-10-5-4-7-12(14-10)15-18(16,17)9-11-6-2-3-8-13-11/h4-5,7,11,13H,2-3,6,8-9H2,1H3,(H,14,15)
InChIKeyPDZOVMIYUDZHGI-UHFFFAOYSA-N
XLogP1.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide (CID 54973719) is N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide is Cc1cccc(NS(=O)(=O)CC2CCCCN2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is PDZOVMIYUDZHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10-5-4-7-12(14-10)15-18(16,17)9-11-6-2-3-8-13-11/h4-5,7,11,13H,2-3,6,8-9H2,1H3,(H,14,15).
What are the key properties of N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide?
N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54973719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).