3-methylsulfanylpyrrolidine-2,5-dione

C5H7NO2S — CID 19845327

IUPAC3-methylsulfanylpyrrolidine-2,5-dione
SMILESCSC1CC(=O)NC1=O
InChIInChI=1S/C5H7NO2S/c1-9-3-2-4(7)6-5(3)8/h3H,2H2,1H3,(H,6,7,8)
InChIKeyWMNOLXICJQXRLY-UHFFFAOYSA-N
MW145.18 g/mol
LogP-0.24
Rot. Bonds1

About 3-methylsulfanylpyrrolidine-2,5-dione

3-methylsulfanylpyrrolidine-2,5-dione (PubChem CID 19845327) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-methylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methylsulfanylpyrrolidine-2,5-dione
PubChem CID19845327
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name3-methylsulfanylpyrrolidine-2,5-dione
SMILESCSC1CC(=O)NC1=O
InChIInChI=1S/C5H7NO2S/c1-9-3-2-4(7)6-5(3)8/h3H,2H2,1H3,(H,6,7,8)
InChIKeyWMNOLXICJQXRLY-UHFFFAOYSA-N
XLogP-0.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 3-methylsulfanylpyrrolidine-2,5-dione (CID 19845327) is 3-methylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methylsulfanylpyrrolidine-2,5-dione is CSC1CC(=O)NC1=O.
What is the InChIKey of 3-methylsulfanylpyrrolidine-2,5-dione?
The InChIKey is WMNOLXICJQXRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-9-3-2-4(7)6-5(3)8/h3H,2H2,1H3,(H,6,7,8).
What are the key properties of 3-methylsulfanylpyrrolidine-2,5-dione?
3-methylsulfanylpyrrolidine-2,5-dione has a molecular weight of 145.18 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 19845327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).