N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide

C8H12N2O2S — CID 130662680

IUPACN-(2,6-dimethyl-4-pyridinyl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)cc(C)n1
InChIInChI=1S/C8H12N2O2S/c1-6-4-8(5-7(2)9-6)10-13(3,11)12/h4-5H,1-3H3,(H,9,10)
InChIKeyAQZNLKQEKSHXHH-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.07
Rot. Bonds2

About N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide

N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide (PubChem CID 130662680) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-pyridinyl)methanesulfonamide
PubChem CID130662680
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(2,6-dimethyl-4-pyridinyl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)cc(C)n1
InChIInChI=1S/C8H12N2O2S/c1-6-4-8(5-7(2)9-6)10-13(3,11)12/h4-5H,1-3H3,(H,9,10)
InChIKeyAQZNLKQEKSHXHH-UHFFFAOYSA-N
XLogP1.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide?
The IUPAC name of N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide (CID 130662680) is N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide.
What is the SMILES notation for N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide?
The canonical SMILES for N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide is Cc1cc(NS(C)(=O)=O)cc(C)n1.
What is the InChIKey of N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide?
The InChIKey is AQZNLKQEKSHXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6-4-8(5-7(2)9-6)10-13(3,11)12/h4-5H,1-3H3,(H,9,10).
What are the key properties of N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide?
N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide has a molecular weight of 200.26 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide is sourced from PubChem (CID 130662680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).