2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide

C10H14N2O3S2 — CID 47230711

IUPAC2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C10H14N2O3S2/c1-16-10-8(4-3-5-12-10)9(13)11-6-7-17(2,14)15/h3-5H,6-7H2,1-2H3,(H,11,13)
InChIKeyAFNPAIRAQOJHQS-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.58
Rot. Bonds5

About 2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide

2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide (PubChem CID 47230711) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
PubChem CID47230711
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C10H14N2O3S2/c1-16-10-8(4-3-5-12-10)9(13)11-6-7-17(2,14)15/h3-5H,6-7H2,1-2H3,(H,11,13)
InChIKeyAFNPAIRAQOJHQS-UHFFFAOYSA-N
XLogP0.58
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide 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

N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
N-(2-benzylsulfanylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 20969002
2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
CID 62650533
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
N-(2-ethylsulfonylethyl)-2-fluoropyridine-3-carboxamide
CID 107358822
N-[2-(2-methylcyclohexyl)oxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 42961801
N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 41306594
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide (CID 47230711) is 2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide is CSc1ncccc1C(=O)NCCS(C)(=O)=O.
What is the InChIKey of 2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide?
The InChIKey is AFNPAIRAQOJHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-16-10-8(4-3-5-12-10)9(13)11-6-7-17(2,14)15/h3-5H,6-7H2,1-2H3,(H,11,13).
What are the key properties of 2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide?
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 47230711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).