sodium N-ethylsulfamate

C2H6NNaO3S — CID 156693838

IUPACsodium N-ethylsulfamate
SMILESCCNS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C2H7NO3S.Na/c1-2-3-7(4,5)6;/h3H,2H2,1H3,(H,4,5,6);/q;+1/p-1
InChIKeyYJKBIFAXRFZTSH-UHFFFAOYSA-M
MW147.13 g/mol
LogP-3.94
Rot. Bonds2

About sodium N-ethylsulfamate

sodium N-ethylsulfamate (PubChem CID 156693838) has the molecular formula C2H6NNaO3S and a molecular weight of 147.13 g/mol. Its IUPAC name is sodium N-ethylsulfamate.

Molecular Properties

Compound Namesodium N-ethylsulfamate
PubChem CID156693838
Molecular FormulaC2H6NNaO3S
Molecular Weight147.13 g/mol
Exact Mass147.00
IUPAC Namesodium N-ethylsulfamate
SMILESCCNS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C2H7NO3S.Na/c1-2-3-7(4,5)6;/h3H,2H2,1H3,(H,4,5,6);/q;+1/p-1
InChIKeyYJKBIFAXRFZTSH-UHFFFAOYSA-M
XLogP-3.94
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-3.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium N-ethylsulfamate 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 N-ethylsulfamate?
The IUPAC name of sodium N-ethylsulfamate (CID 156693838) is sodium N-ethylsulfamate.
What is the SMILES notation for sodium N-ethylsulfamate?
The canonical SMILES for sodium N-ethylsulfamate is CCNS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium N-ethylsulfamate?
The InChIKey is YJKBIFAXRFZTSH-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7NO3S.Na/c1-2-3-7(4,5)6;/h3H,2H2,1H3,(H,4,5,6);/q;+1/p-1.
What are the key properties of sodium N-ethylsulfamate?
sodium N-ethylsulfamate has a molecular weight of 147.13 g/mol, XLogP of -3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-ethylsulfamate is sourced from PubChem (CID 156693838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).