4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one

C13H15NO3S2 — CID 139513395

IUPAC4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one
SMILESCc1ccn(CCS(C)(=O)=O)c(=O)c1-c1cccs1
InChIInChI=1S/C13H15NO3S2/c1-10-5-6-14(7-9-19(2,16)17)13(15)12(10)11-4-3-8-18-11/h3-6,8H,7,9H2,1-2H3
InChIKeyKJMXHFKBTYKQET-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.93
Rot. Bonds4

About 4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one

4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one (PubChem CID 139513395) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one
PubChem CID139513395
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC Name4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one
SMILESCc1ccn(CCS(C)(=O)=O)c(=O)c1-c1cccs1
InChIInChI=1S/C13H15NO3S2/c1-10-5-6-14(7-9-19(2,16)17)13(15)12(10)11-4-3-8-18-11/h3-6,8H,7,9H2,1-2H3
InChIKeyKJMXHFKBTYKQET-UHFFFAOYSA-N
XLogP1.93
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one?
The IUPAC name of 4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one (CID 139513395) is 4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one.
What is the SMILES notation for 4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one?
The canonical SMILES for 4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one is Cc1ccn(CCS(C)(=O)=O)c(=O)c1-c1cccs1.
What is the InChIKey of 4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one?
The InChIKey is KJMXHFKBTYKQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-10-5-6-14(7-9-19(2,16)17)13(15)12(10)11-4-3-8-18-11/h3-6,8H,7,9H2,1-2H3.
What are the key properties of 4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one?
4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one has a molecular weight of 297.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylsulfonylethyl)-3-thiophen-2-ylpyridin-2-one is sourced from PubChem (CID 139513395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).