3-(2-methylsulfonylethyl)pyrrolidin-2-one

C7H13NO3S — CID 104679275

IUPAC3-(2-methylsulfonylethyl)pyrrolidin-2-one
SMILESCS(=O)(=O)CCC1CCNC1=O
InChIInChI=1S/C7H13NO3S/c1-12(10,11)5-3-6-2-4-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)
InChIKeyZQIIHZCEQAMWKB-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.44
Rot. Bonds3

About 3-(2-methylsulfonylethyl)pyrrolidin-2-one

3-(2-methylsulfonylethyl)pyrrolidin-2-one (PubChem CID 104679275) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-(2-methylsulfonylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-methylsulfonylethyl)pyrrolidin-2-one
PubChem CID104679275
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name3-(2-methylsulfonylethyl)pyrrolidin-2-one
SMILESCS(=O)(=O)CCC1CCNC1=O
InChIInChI=1S/C7H13NO3S/c1-12(10,11)5-3-6-2-4-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)
InChIKeyZQIIHZCEQAMWKB-UHFFFAOYSA-N
XLogP-0.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethyl)pyrrolidin-2-one?
The IUPAC name of 3-(2-methylsulfonylethyl)pyrrolidin-2-one (CID 104679275) is 3-(2-methylsulfonylethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-methylsulfonylethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2-methylsulfonylethyl)pyrrolidin-2-one is CS(=O)(=O)CCC1CCNC1=O.
What is the InChIKey of 3-(2-methylsulfonylethyl)pyrrolidin-2-one?
The InChIKey is ZQIIHZCEQAMWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-12(10,11)5-3-6-2-4-8-7(6)9/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of 3-(2-methylsulfonylethyl)pyrrolidin-2-one?
3-(2-methylsulfonylethyl)pyrrolidin-2-one has a molecular weight of 191.25 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethyl)pyrrolidin-2-one is sourced from PubChem (CID 104679275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).