sodium 2-methylsulfonylacetamide

C3H7NNaO3S+ — CID 20548266

IUPACsodium 2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(N)=O.[Na+]
InChIInChI=1S/C3H7NO3S.Na/c1-8(6,7)2-3(4)5;/h2H2,1H3,(H2,4,5);/q;+1
InChIKeyYAPMCLNRJSINAU-UHFFFAOYSA-N
MW160.15 g/mol
LogP-4.48
Rot. Bonds2

About sodium 2-methylsulfonylacetamide

sodium 2-methylsulfonylacetamide (PubChem CID 20548266) has the molecular formula C3H7NNaO3S+ and a molecular weight of 160.15 g/mol. Its IUPAC name is sodium 2-methylsulfonylacetamide.

Molecular Properties

Compound Namesodium 2-methylsulfonylacetamide
PubChem CID20548266
Molecular FormulaC3H7NNaO3S+
Molecular Weight160.15 g/mol
Exact Mass160.00
IUPAC Namesodium 2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(N)=O.[Na+]
InChIInChI=1S/C3H7NO3S.Na/c1-8(6,7)2-3(4)5;/h2H2,1H3,(H2,4,5);/q;+1
InChIKeyYAPMCLNRJSINAU-UHFFFAOYSA-N
XLogP-4.48
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-4.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze sodium 2-methylsulfonylacetamide 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 2-methylsulfonylacetamide?
The IUPAC name of sodium 2-methylsulfonylacetamide (CID 20548266) is sodium 2-methylsulfonylacetamide.
What is the SMILES notation for sodium 2-methylsulfonylacetamide?
The canonical SMILES for sodium 2-methylsulfonylacetamide is CS(=O)(=O)CC(N)=O.[Na+].
What is the InChIKey of sodium 2-methylsulfonylacetamide?
The InChIKey is YAPMCLNRJSINAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3S.Na/c1-8(6,7)2-3(4)5;/h2H2,1H3,(H2,4,5);/q;+1.
What are the key properties of sodium 2-methylsulfonylacetamide?
sodium 2-methylsulfonylacetamide has a molecular weight of 160.15 g/mol, XLogP of -4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methylsulfonylacetamide is sourced from PubChem (CID 20548266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).