sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine

C6H10NNaO4S2 — CID 23698158

IUPACsodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine
SMILESO=C1CCCN1CCSS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C6H11NO4S2.Na/c8-6-2-1-3-7(6)4-5-12-13(9,10)11;/h1-5H2,(H,9,10,11);/q;+1/p-1
InChIKeyKKAMVEUNCMVTBO-UHFFFAOYSA-M
MW247.27 g/mol
LogP-3.19
Rot. Bonds4

About sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine

sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine (PubChem CID 23698158) has the molecular formula C6H10NNaO4S2 and a molecular weight of 247.27 g/mol. Its IUPAC name is sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine.

Molecular Properties

Compound Namesodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine
PubChem CID23698158
Molecular FormulaC6H10NNaO4S2
Molecular Weight247.27 g/mol
Exact Mass246.99
IUPAC Namesodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine
SMILESO=C1CCCN1CCSS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C6H11NO4S2.Na/c8-6-2-1-3-7(6)4-5-12-13(9,10)11;/h1-5H2,(H,9,10,11);/q;+1/p-1
InChIKeyKKAMVEUNCMVTBO-UHFFFAOYSA-M
XLogP-3.19
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 5-3.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-oxopyrrolidin-1-yl)ethylazanium
CID 7446746
1-[2-(2-hydroxyethylsulfanyl)ethyl]pyrrolidin-2-one
CID 14553076
1-(2-silylethyl)pyrrolidin-2-one
CID 154480854
3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid
CID 129048427
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
azane;1-(2-bromoethyl)pyrrolidin-2-one
CID 174693933
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
trimethyl-[3-(2-oxopyrrolidin-1-yl)propyl]azanium
CID 23918
1,1-difluoro-2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethanesulfonate
CID 58520241
1-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 62207971
1-ethylpyrrolidin-2-one;sulfuric acid
CID 174895849
1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
CID 51077674

Frequently Asked Questions

What is the IUPAC name of sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine?
The IUPAC name of sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine (CID 23698158) is sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine.
What is the SMILES notation for sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine?
The canonical SMILES for sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine is O=C1CCCN1CCSS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine?
The InChIKey is KKAMVEUNCMVTBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO4S2.Na/c8-6-2-1-3-7(6)4-5-12-13(9,10)11;/h1-5H2,(H,9,10,11);/q;+1/p-1.
What are the key properties of sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine?
sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine has a molecular weight of 247.27 g/mol, XLogP of -3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-oxo-1-(2-sulfonatosulfanylethyl)pyrrolidine is sourced from PubChem (CID 23698158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).