1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate

C4H4NO6S- — CID 4138879

IUPAC1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate
SMILESO=C1CC(S(=O)(=O)[O-])C(=O)N1O
InChIInChI=1S/C4H5NO6S/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2,8H,1H2,(H,9,10,11)/p-1
InChIKeyGVJXGCIPWAVXJP-UHFFFAOYSA-M
MW194.14 g/mol
LogP-1.95
Rot. Bonds1

About 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate

1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate (PubChem CID 4138879) has the molecular formula C4H4NO6S- and a molecular weight of 194.14 g/mol. Its IUPAC name is 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate.

Molecular Properties

Compound Name1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate
PubChem CID4138879
Molecular FormulaC4H4NO6S-
Molecular Weight194.14 g/mol
Exact Mass193.98
IUPAC Name1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate
SMILESO=C1CC(S(=O)(=O)[O-])C(=O)N1O
InChIInChI=1S/C4H5NO6S/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2,8H,1H2,(H,9,10,11)/p-1
InChIKeyGVJXGCIPWAVXJP-UHFFFAOYSA-M
XLogP-1.95
TPSA114.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate?
The IUPAC name of 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate (CID 4138879) is 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate.
What is the SMILES notation for 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate?
The canonical SMILES for 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate is O=C1CC(S(=O)(=O)[O-])C(=O)N1O.
What is the InChIKey of 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate?
The InChIKey is GVJXGCIPWAVXJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5NO6S/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2,8H,1H2,(H,9,10,11)/p-1.
What are the key properties of 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate?
1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate has a molecular weight of 194.14 g/mol, XLogP of -1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate is sourced from PubChem (CID 4138879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).