1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide

C8H12N2O3S — CID 165445890

IUPAC1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1cncc(OC)c1
InChIInChI=1S/C8H12N2O3S/c1-9-14(11,12)6-7-3-8(13-2)5-10-4-7/h3-5,9H,6H2,1-2H3
InChIKeyYEIPVJJEPPOCMP-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.14
Rot. Bonds4

About 1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide

1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide (PubChem CID 165445890) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide
PubChem CID165445890
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1cncc(OC)c1
InChIInChI=1S/C8H12N2O3S/c1-9-14(11,12)6-7-3-8(13-2)5-10-4-7/h3-5,9H,6H2,1-2H3
InChIKeyYEIPVJJEPPOCMP-UHFFFAOYSA-N
XLogP0.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromoethyl)-5-methoxypyridine
CID 22037882
3-methoxy-5-(2-methylpropyl)pyridine
CID 58531249
1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566393
4-(5-methoxy-3-pyridinyl)butan-2-one
CID 69229885
1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide
CID 165442745
2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 33117583
N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen
CID 171523322
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide
CID 126829062
ethane;5-methoxy-N-methylpyridin-3-amine
CID 168998921
N-fluoro-5-methoxypyridin-3-amine
CID 155111247
2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine
CID 70124527

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide (CID 165445890) is 1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1cncc(OC)c1.
What is the InChIKey of 1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide?
The InChIKey is YEIPVJJEPPOCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-9-14(11,12)6-7-3-8(13-2)5-10-4-7/h3-5,9H,6H2,1-2H3.
What are the key properties of 1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide?
1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide has a molecular weight of 216.26 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 165445890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).