2,5-dioxopyrrolidine-1-sulfinate

C4H4NO4S- — CID 68692839

IUPAC2,5-dioxopyrrolidine-1-sulfinate
SMILESO=C1CCC(=O)N1S(=O)[O-]
InChIInChI=1S/C4H5NO4S/c6-3-1-2-4(7)5(3)10(8)9/h1-2H2,(H,8,9)/p-1
InChIKeyMCYHFZYLYGVQQJ-UHFFFAOYSA-M
MW162.15 g/mol
LogP-1.07
Rot. Bonds1

About 2,5-dioxopyrrolidine-1-sulfinate

2,5-dioxopyrrolidine-1-sulfinate (PubChem CID 68692839) has the molecular formula C4H4NO4S- and a molecular weight of 162.15 g/mol. Its IUPAC name is 2,5-dioxopyrrolidine-1-sulfinate.

Molecular Properties

Compound Name2,5-dioxopyrrolidine-1-sulfinate
PubChem CID68692839
Molecular FormulaC4H4NO4S-
Molecular Weight162.15 g/mol
Exact Mass161.99
IUPAC Name2,5-dioxopyrrolidine-1-sulfinate
SMILESO=C1CCC(=O)N1S(=O)[O-]
InChIInChI=1S/C4H5NO4S/c6-3-1-2-4(7)5(3)10(8)9/h1-2H2,(H,8,9)/p-1
InChIKeyMCYHFZYLYGVQQJ-UHFFFAOYSA-M
XLogP-1.07
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,5-dioxopyrrolidine-1-sulfinate 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 2,5-dioxopyrrolidine-1-sulfinate?
The IUPAC name of 2,5-dioxopyrrolidine-1-sulfinate (CID 68692839) is 2,5-dioxopyrrolidine-1-sulfinate.
What is the SMILES notation for 2,5-dioxopyrrolidine-1-sulfinate?
The canonical SMILES for 2,5-dioxopyrrolidine-1-sulfinate is O=C1CCC(=O)N1S(=O)[O-].
What is the InChIKey of 2,5-dioxopyrrolidine-1-sulfinate?
The InChIKey is MCYHFZYLYGVQQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5NO4S/c6-3-1-2-4(7)5(3)10(8)9/h1-2H2,(H,8,9)/p-1.
What are the key properties of 2,5-dioxopyrrolidine-1-sulfinate?
2,5-dioxopyrrolidine-1-sulfinate has a molecular weight of 162.15 g/mol, XLogP of -1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxopyrrolidine-1-sulfinate is sourced from PubChem (CID 68692839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).