potassium N-(2-hydroxyethyl)sulfamate

C2H6KNO4S — CID 23713581

IUPACpotassium N-(2-hydroxyethyl)sulfamate
SMILESO=S(=O)([O-])NCCO.[K+]
InChIInChI=1S/C2H7NO4S.K/c4-2-1-3-8(5,6)7;/h3-4H,1-2H2,(H,5,6,7);/q;+1/p-1
InChIKeyNFOKPOVGHVRQJJ-UHFFFAOYSA-M
MW179.24 g/mol
LogP-4.97
Rot. Bonds3

About potassium N-(2-hydroxyethyl)sulfamate

potassium N-(2-hydroxyethyl)sulfamate (PubChem CID 23713581) has the molecular formula C2H6KNO4S and a molecular weight of 179.24 g/mol. Its IUPAC name is potassium N-(2-hydroxyethyl)sulfamate.

Molecular Properties

Compound Namepotassium N-(2-hydroxyethyl)sulfamate
PubChem CID23713581
Molecular FormulaC2H6KNO4S
Molecular Weight179.24 g/mol
Exact Mass178.97
IUPAC Namepotassium N-(2-hydroxyethyl)sulfamate
SMILESO=S(=O)([O-])NCCO.[K+]
InChIInChI=1S/C2H7NO4S.K/c4-2-1-3-8(5,6)7;/h3-4H,1-2H2,(H,5,6,7);/q;+1/p-1
InChIKeyNFOKPOVGHVRQJJ-UHFFFAOYSA-M
XLogP-4.97
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-4.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-hydroxyethyl)sulfamate?
The IUPAC name of potassium N-(2-hydroxyethyl)sulfamate (CID 23713581) is potassium N-(2-hydroxyethyl)sulfamate.
What is the SMILES notation for potassium N-(2-hydroxyethyl)sulfamate?
The canonical SMILES for potassium N-(2-hydroxyethyl)sulfamate is O=S(=O)([O-])NCCO.[K+].
What is the InChIKey of potassium N-(2-hydroxyethyl)sulfamate?
The InChIKey is NFOKPOVGHVRQJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7NO4S.K/c4-2-1-3-8(5,6)7;/h3-4H,1-2H2,(H,5,6,7);/q;+1/p-1.
What are the key properties of potassium N-(2-hydroxyethyl)sulfamate?
potassium N-(2-hydroxyethyl)sulfamate has a molecular weight of 179.24 g/mol, XLogP of -4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(2-hydroxyethyl)sulfamate is sourced from PubChem (CID 23713581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).