1-sulfanylpyrrolidine-2,5-dione

C4H5NO2S — CID 19710496

IUPAC1-sulfanylpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1S
InChIInChI=1S/C4H5NO2S/c6-3-1-2-4(7)5(3)8/h8H,1-2H2
InChIKeyGBMHRAHIGHKROS-UHFFFAOYSA-N
MW131.16 g/mol
LogP-0.02
Rot. Bonds

About 1-sulfanylpyrrolidine-2,5-dione

1-sulfanylpyrrolidine-2,5-dione (PubChem CID 19710496) has the molecular formula C4H5NO2S and a molecular weight of 131.16 g/mol. Its IUPAC name is 1-sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-sulfanylpyrrolidine-2,5-dione
PubChem CID19710496
Molecular FormulaC4H5NO2S
Molecular Weight131.16 g/mol
Exact Mass131.00
IUPAC Name1-sulfanylpyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1S
InChIInChI=1S/C4H5NO2S/c6-3-1-2-4(7)5(3)8/h8H,1-2H2
InChIKeyGBMHRAHIGHKROS-UHFFFAOYSA-N
XLogP-0.02
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 5-0.02
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-sulfanylpyrrolidine-2,5-dione (CID 19710496) is 1-sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-sulfanylpyrrolidine-2,5-dione is O=C1CCC(=O)N1S.
What is the InChIKey of 1-sulfanylpyrrolidine-2,5-dione?
The InChIKey is GBMHRAHIGHKROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S/c6-3-1-2-4(7)5(3)8/h8H,1-2H2.
What are the key properties of 1-sulfanylpyrrolidine-2,5-dione?
1-sulfanylpyrrolidine-2,5-dione has a molecular weight of 131.16 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 19710496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).