lithium N-ethylsulfamate

C2H6LiNO3S — CID 156663497

IUPAClithium N-ethylsulfamate
SMILESCCNS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C2H7NO3S.Li/c1-2-3-7(4,5)6;/h3H,2H2,1H3,(H,4,5,6);/q;+1/p-1
InChIKeyICVLFOLWPIUXFK-UHFFFAOYSA-M
MW131.08 g/mol
LogP-3.94
Rot. Bonds2

About lithium N-ethylsulfamate

lithium N-ethylsulfamate (PubChem CID 156663497) has the molecular formula C2H6LiNO3S and a molecular weight of 131.08 g/mol. Its IUPAC name is lithium N-ethylsulfamate.

Molecular Properties

Compound Namelithium N-ethylsulfamate
PubChem CID156663497
Molecular FormulaC2H6LiNO3S
Molecular Weight131.08 g/mol
Exact Mass131.02
IUPAC Namelithium N-ethylsulfamate
SMILESCCNS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C2H7NO3S.Li/c1-2-3-7(4,5)6;/h3H,2H2,1H3,(H,4,5,6);/q;+1/p-1
InChIKeyICVLFOLWPIUXFK-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 ≤ 500131.08
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 lithium N-ethylsulfamate?
The IUPAC name of lithium N-ethylsulfamate (CID 156663497) is lithium N-ethylsulfamate.
What is the SMILES notation for lithium N-ethylsulfamate?
The canonical SMILES for lithium N-ethylsulfamate is CCNS(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium N-ethylsulfamate?
The InChIKey is ICVLFOLWPIUXFK-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7NO3S.Li/c1-2-3-7(4,5)6;/h3H,2H2,1H3,(H,4,5,6);/q;+1/p-1.
What are the key properties of lithium N-ethylsulfamate?
lithium N-ethylsulfamate has a molecular weight of 131.08 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 lithium N-ethylsulfamate is sourced from PubChem (CID 156663497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).