N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide

C13H21N3O2S — CID 70746798

IUPACN-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCc1cccc(CN2CCC(NS(C)(=O)=O)CC2)n1
InChIInChI=1S/C13H21N3O2S/c1-11-4-3-5-13(14-11)10-16-8-6-12(7-9-16)15-19(2,17)18/h3-5,12,15H,6-10H2,1-2H3
InChIKeyWBJAGSRXWSGUGV-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.90
Rot. Bonds4

About N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide

N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 70746798) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide
PubChem CID70746798
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCc1cccc(CN2CCC(NS(C)(=O)=O)CC2)n1
InChIInChI=1S/C13H21N3O2S/c1-11-4-3-5-13(14-11)10-16-8-6-12(7-9-16)15-19(2,17)18/h3-5,12,15H,6-10H2,1-2H3
InChIKeyWBJAGSRXWSGUGV-UHFFFAOYSA-N
XLogP0.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide (CID 70746798) is N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide is Cc1cccc(CN2CCC(NS(C)(=O)=O)CC2)n1.
What is the InChIKey of N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is WBJAGSRXWSGUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-11-4-3-5-13(14-11)10-16-8-6-12(7-9-16)15-19(2,17)18/h3-5,12,15H,6-10H2,1-2H3.
What are the key properties of N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide?
N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 70746798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).