N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide

C8H12N2O2S — CID 123795564

IUPACN-(2,5-dimethyl-3-pyridinyl)methanesulfonamide
SMILESCc1cnc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C8H12N2O2S/c1-6-4-8(7(2)9-5-6)10-13(3,11)12/h4-5,10H,1-3H3
InChIKeyCFNMDESHRLXEHU-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.07
Rot. Bonds2

About N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide

N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide (PubChem CID 123795564) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-3-pyridinyl)methanesulfonamide
PubChem CID123795564
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(2,5-dimethyl-3-pyridinyl)methanesulfonamide
SMILESCc1cnc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C8H12N2O2S/c1-6-4-8(7(2)9-5-6)10-13(3,11)12/h4-5,10H,1-3H3
InChIKeyCFNMDESHRLXEHU-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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Related Compounds

N-(2,5-dimethyl-4-pyridinyl)methanesulfonamide
CID 126987931
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 143921222
N-(6-methylquinolin-8-yl)methanesulfonamide
CID 110715581
N-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 88919509
N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
CID 126995059
N-(4-hydroxy-3-methylisoquinolin-5-yl)methanesulfonamide
CID 91719163
N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide
CID 130595270
N-[5-[4-(2,6-difluorophenyl)-6-ethylpyrimidin-5-yl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 71234666
3-amino-N-(2,5-dimethyl-3-pyridinyl)propanamide
CID 164657308
N-(2-cyano-5-methylphenyl)methanesulfonamide
CID 67099534
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide
CID 59548449

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide?
The IUPAC name of N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide (CID 123795564) is N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide?
The canonical SMILES for N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide is Cc1cnc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide?
The InChIKey is CFNMDESHRLXEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6-4-8(7(2)9-5-6)10-13(3,11)12/h4-5,10H,1-3H3.
What are the key properties of N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide?
N-(2,5-dimethyl-3-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-(2,5-dimethyl-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 123795564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).