sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate

C4H6NNaO7S — CID 23697313

IUPACsodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate
SMILESO.O=C1CC(S(=O)(=O)[O-])C(=O)N1O.[Na+]
InChIInChI=1S/C4H5NO6S.Na.H2O/c6-3-1-2(12(9,10)11)4(7)5(3)8;;/h2,8H,1H2,(H,9,10,11);;1H2/q;+1;/p-1
InChIKeyXNWRGJNUOILKMU-UHFFFAOYSA-M
MW235.15 g/mol
LogP-5.77
Rot. Bonds1

About sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate

sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate (PubChem CID 23697313) has the molecular formula C4H6NNaO7S and a molecular weight of 235.15 g/mol. Its IUPAC name is sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate.

Molecular Properties

Compound Namesodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate
PubChem CID23697313
Molecular FormulaC4H6NNaO7S
Molecular Weight235.15 g/mol
Exact Mass234.98
IUPAC Namesodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate
SMILESO.O=C1CC(S(=O)(=O)[O-])C(=O)N1O.[Na+]
InChIInChI=1S/C4H5NO6S.Na.H2O/c6-3-1-2(12(9,10)11)4(7)5(3)8;;/h2,8H,1H2,(H,9,10,11);;1H2/q;+1;/p-1
InChIKeyXNWRGJNUOILKMU-UHFFFAOYSA-M
XLogP-5.77
TPSA146.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 5-5.77
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'}

Analyze sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate 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 sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate?
The IUPAC name of sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate (CID 23697313) is sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate.
What is the SMILES notation for sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate?
The canonical SMILES for sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate is O.O=C1CC(S(=O)(=O)[O-])C(=O)N1O.[Na+].
What is the InChIKey of sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate?
The InChIKey is XNWRGJNUOILKMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5NO6S.Na.H2O/c6-3-1-2(12(9,10)11)4(7)5(3)8;;/h2,8H,1H2,(H,9,10,11);;1H2/q;+1;/p-1.
What are the key properties of sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate?
sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate has a molecular weight of 235.15 g/mol, XLogP of -5.77, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate;hydrate is sourced from PubChem (CID 23697313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).