1-methylsulfonylpyrrolidine-2,5-dione

C5H7NO4S — CID 544798

IUPAC1-methylsulfonylpyrrolidine-2,5-dione
SMILESCS(=O)(=O)N1C(=O)CCC1=O
InChIInChI=1S/C5H7NO4S/c1-11(9,10)6-4(7)2-3-5(6)8/h2-3H2,1H3
InChIKeyZCXARAOFWCKHLI-UHFFFAOYSA-N
MW177.18 g/mol
LogP-0.90
Rot. Bonds1

About 1-methylsulfonylpyrrolidine-2,5-dione

1-methylsulfonylpyrrolidine-2,5-dione (PubChem CID 544798) has the molecular formula C5H7NO4S and a molecular weight of 177.18 g/mol. Its IUPAC name is 1-methylsulfonylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methylsulfonylpyrrolidine-2,5-dione
PubChem CID544798
Molecular FormulaC5H7NO4S
Molecular Weight177.18 g/mol
Exact Mass177.01
IUPAC Name1-methylsulfonylpyrrolidine-2,5-dione
SMILESCS(=O)(=O)N1C(=O)CCC1=O
InChIInChI=1S/C5H7NO4S/c1-11(9,10)6-4(7)2-3-5(6)8/h2-3H2,1H3
InChIKeyZCXARAOFWCKHLI-UHFFFAOYSA-N
XLogP-0.90
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpyrrolidine-2,5-dione?
The IUPAC name of 1-methylsulfonylpyrrolidine-2,5-dione (CID 544798) is 1-methylsulfonylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-methylsulfonylpyrrolidine-2,5-dione?
The canonical SMILES for 1-methylsulfonylpyrrolidine-2,5-dione is CS(=O)(=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-methylsulfonylpyrrolidine-2,5-dione?
The InChIKey is ZCXARAOFWCKHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4S/c1-11(9,10)6-4(7)2-3-5(6)8/h2-3H2,1H3.
What are the key properties of 1-methylsulfonylpyrrolidine-2,5-dione?
1-methylsulfonylpyrrolidine-2,5-dione has a molecular weight of 177.18 g/mol, XLogP of -0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpyrrolidine-2,5-dione is sourced from PubChem (CID 544798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).