N-(pyridin-2-ylmethyl)methanesulfonamide

C7H10N2O2S — CID 4657001

IUPACN-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1ccccn1
InChIInChI=1S/C7H10N2O2S/c1-12(10,11)9-6-7-4-2-3-5-8-7/h2-5,9H,6H2,1H3
InChIKeyCOZJGYDYFGRADG-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.13
Rot. Bonds3

About N-(pyridin-2-ylmethyl)methanesulfonamide

N-(pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 4657001) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)methanesulfonamide
PubChem CID4657001
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC NameN-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1ccccn1
InChIInChI=1S/C7H10N2O2S/c1-12(10,11)9-6-7-4-2-3-5-8-7/h2-5,9H,6H2,1H3
InChIKeyCOZJGYDYFGRADG-UHFFFAOYSA-N
XLogP0.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-(pyridin-2-ylmethyl)methanesulfonamide (CID 4657001) is N-(pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)methanesulfonamide is CS(=O)(=O)NCc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is COZJGYDYFGRADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-12(10,11)9-6-7-4-2-3-5-8-7/h2-5,9H,6H2,1H3.
What are the key properties of N-(pyridin-2-ylmethyl)methanesulfonamide?
N-(pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 186.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 4657001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).