1-(2-methylsulfonylethyl)pyridin-2-one

C8H11NO3S — CID 90220815

IUPAC1-(2-methylsulfonylethyl)pyridin-2-one
SMILESCS(=O)(=O)CCn1ccccc1=O
InChIInChI=1S/C8H11NO3S/c1-13(11,12)7-6-9-5-3-2-4-8(9)10/h2-5H,6-7H2,1H3
InChIKeyHUBOMKBBAKVSKJ-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.11
Rot. Bonds3

About 1-(2-methylsulfonylethyl)pyridin-2-one

1-(2-methylsulfonylethyl)pyridin-2-one (PubChem CID 90220815) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)pyridin-2-one
PubChem CID90220815
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name1-(2-methylsulfonylethyl)pyridin-2-one
SMILESCS(=O)(=O)CCn1ccccc1=O
InChIInChI=1S/C8H11NO3S/c1-13(11,12)7-6-9-5-3-2-4-8(9)10/h2-5H,6-7H2,1H3
InChIKeyHUBOMKBBAKVSKJ-UHFFFAOYSA-N
XLogP-0.11
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)pyridin-2-one?
The IUPAC name of 1-(2-methylsulfonylethyl)pyridin-2-one (CID 90220815) is 1-(2-methylsulfonylethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-methylsulfonylethyl)pyridin-2-one?
The canonical SMILES for 1-(2-methylsulfonylethyl)pyridin-2-one is CS(=O)(=O)CCn1ccccc1=O.
What is the InChIKey of 1-(2-methylsulfonylethyl)pyridin-2-one?
The InChIKey is HUBOMKBBAKVSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-13(11,12)7-6-9-5-3-2-4-8(9)10/h2-5H,6-7H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)pyridin-2-one?
1-(2-methylsulfonylethyl)pyridin-2-one has a molecular weight of 201.25 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)pyridin-2-one is sourced from PubChem (CID 90220815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).