(4S)-4-methylsulfonylpyrrolidin-2-one

C5H9NO3S — CID 130787450

IUPAC(4S)-4-methylsulfonylpyrrolidin-2-one
SMILESCS(=O)(=O)[C@@H]1CNC(=O)C1
InChIInChI=1S/C5H9NO3S/c1-10(8,9)4-2-5(7)6-3-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKeyIHKYZPANJHOFNU-BYPYZUCNSA-N
MW163.20 g/mol
LogP-1.08
Rot. Bonds1

About (4S)-4-methylsulfonylpyrrolidin-2-one

(4S)-4-methylsulfonylpyrrolidin-2-one (PubChem CID 130787450) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is (4S)-4-methylsulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-methylsulfonylpyrrolidin-2-one
PubChem CID130787450
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC Name(4S)-4-methylsulfonylpyrrolidin-2-one
SMILESCS(=O)(=O)[C@@H]1CNC(=O)C1
InChIInChI=1S/C5H9NO3S/c1-10(8,9)4-2-5(7)6-3-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKeyIHKYZPANJHOFNU-BYPYZUCNSA-N
XLogP-1.08
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxidotetrahydrothiophen-3-yl)butyramide
CID 18573523
(r)-4-Acetylthio-2-pyrrolidinone
CID 10313245
N-[2-(Methylsulfinyl)ethyl]butanamide
CID 15312540
N-methyl-2-pyrrolidonium methyl sulfonate
CID 121284344
N-(1,1-dioxothiolan-3-yl)acetamide
CID 237864
5-Oxopyrrolidine-3-sulfonyl fluoride
CID 131071626
3,3-Difluoro-4-(methanesulfonylmethyl)pyrrolidin-2-one
CID 168025674
N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7114857
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
(S)-S-(5-Oxopyrrolidin-3-yl) ethanethioate
CID 10534964
3-(Methylsulfanyl)pyrrolidin-2-one
CID 13509780
(4S)-4-(acetylsulfanyl)pyrrolidin-2-one
CID 14456882

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methylsulfonylpyrrolidin-2-one?
The IUPAC name of (4S)-4-methylsulfonylpyrrolidin-2-one (CID 130787450) is (4S)-4-methylsulfonylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-methylsulfonylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-methylsulfonylpyrrolidin-2-one is CS(=O)(=O)[C@@H]1CNC(=O)C1.
What is the InChIKey of (4S)-4-methylsulfonylpyrrolidin-2-one?
The InChIKey is IHKYZPANJHOFNU-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO3S/c1-10(8,9)4-2-5(7)6-3-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1.
What are the key properties of (4S)-4-methylsulfonylpyrrolidin-2-one?
(4S)-4-methylsulfonylpyrrolidin-2-one has a molecular weight of 163.20 g/mol, XLogP of -1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methylsulfonylpyrrolidin-2-one is sourced from PubChem (CID 130787450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).