potassium N-ethylsulfamate

C2H6KNO3S — CID 23681202

IUPACpotassium N-ethylsulfamate
SMILESCCNS(=O)(=O)[O-].[K+]
InChIInChI=1S/C2H7NO3S.K/c1-2-3-7(4,5)6;/h3H,2H2,1H3,(H,4,5,6);/q;+1/p-1
InChIKeyRGCULMCCEJZJJO-UHFFFAOYSA-M
MW163.24 g/mol
LogP-3.94
Rot. Bonds2

About potassium N-ethylsulfamate

potassium N-ethylsulfamate (PubChem CID 23681202) has the molecular formula C2H6KNO3S and a molecular weight of 163.24 g/mol. Its IUPAC name is potassium N-ethylsulfamate.

Molecular Properties

Compound Namepotassium N-ethylsulfamate
PubChem CID23681202
Molecular FormulaC2H6KNO3S
Molecular Weight163.24 g/mol
Exact Mass162.97
IUPAC Namepotassium N-ethylsulfamate
SMILESCCNS(=O)(=O)[O-].[K+]
InChIInChI=1S/C2H7NO3S.K/c1-2-3-7(4,5)6;/h3H,2H2,1H3,(H,4,5,6);/q;+1/p-1
InChIKeyRGCULMCCEJZJJO-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 ≤ 500163.24
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'}

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Frequently Asked Questions

What is the IUPAC name of potassium N-ethylsulfamate?
The IUPAC name of potassium N-ethylsulfamate (CID 23681202) is potassium N-ethylsulfamate.
What is the SMILES notation for potassium N-ethylsulfamate?
The canonical SMILES for potassium N-ethylsulfamate is CCNS(=O)(=O)[O-].[K+].
What is the InChIKey of potassium N-ethylsulfamate?
The InChIKey is RGCULMCCEJZJJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7NO3S.K/c1-2-3-7(4,5)6;/h3H,2H2,1H3,(H,4,5,6);/q;+1/p-1.
What are the key properties of potassium N-ethylsulfamate?
potassium N-ethylsulfamate has a molecular weight of 163.24 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 potassium N-ethylsulfamate is sourced from PubChem (CID 23681202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).