1-methyl-3-sulfanylpyrrolidine-2,5-dione

C5H7NO2S — CID 21153386

IUPAC1-methyl-3-sulfanylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(S)C1=O
InChIInChI=1S/C5H7NO2S/c1-6-4(7)2-3(9)5(6)8/h3,9H,2H2,1H3
InChIKeyVGZGAKWJUHRXCY-UHFFFAOYSA-N
MW145.18 g/mol
LogP-0.33
Rot. Bonds

About 1-methyl-3-sulfanylpyrrolidine-2,5-dione

1-methyl-3-sulfanylpyrrolidine-2,5-dione (PubChem CID 21153386) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-methyl-3-sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-sulfanylpyrrolidine-2,5-dione
PubChem CID21153386
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name1-methyl-3-sulfanylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(S)C1=O
InChIInChI=1S/C5H7NO2S/c1-6-4(7)2-3(9)5(6)8/h3,9H,2H2,1H3
InChIKeyVGZGAKWJUHRXCY-UHFFFAOYSA-N
XLogP-0.33
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-methyl-3-sulfanylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-sulfanylpyrrolidine-2,5-dione (CID 21153386) is 1-methyl-3-sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-sulfanylpyrrolidine-2,5-dione is CN1C(=O)CC(S)C1=O.
What is the InChIKey of 1-methyl-3-sulfanylpyrrolidine-2,5-dione?
The InChIKey is VGZGAKWJUHRXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-6-4(7)2-3(9)5(6)8/h3,9H,2H2,1H3.
What are the key properties of 1-methyl-3-sulfanylpyrrolidine-2,5-dione?
1-methyl-3-sulfanylpyrrolidine-2,5-dione has a molecular weight of 145.18 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 21153386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).