lithium N-ethyl-N-methylsulfamate

C3H8LiNO3S — CID 156663388

IUPAClithium N-ethyl-N-methylsulfamate
SMILESCCN(C)S(=O)(=O)[O-].[Li+]
InChIInChI=1S/C3H9NO3S.Li/c1-3-4(2)8(5,6)7;/h3H2,1-2H3,(H,5,6,7);/q;+1/p-1
InChIKeyCARRASBWEIQVAI-UHFFFAOYSA-M
MW145.11 g/mol
LogP-3.60
Rot. Bonds2

About lithium N-ethyl-N-methylsulfamate

lithium N-ethyl-N-methylsulfamate (PubChem CID 156663388) has the molecular formula C3H8LiNO3S and a molecular weight of 145.11 g/mol. Its IUPAC name is lithium N-ethyl-N-methylsulfamate.

Molecular Properties

Compound Namelithium N-ethyl-N-methylsulfamate
PubChem CID156663388
Molecular FormulaC3H8LiNO3S
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Namelithium N-ethyl-N-methylsulfamate
SMILESCCN(C)S(=O)(=O)[O-].[Li+]
InChIInChI=1S/C3H9NO3S.Li/c1-3-4(2)8(5,6)7;/h3H2,1-2H3,(H,5,6,7);/q;+1/p-1
InChIKeyCARRASBWEIQVAI-UHFFFAOYSA-M
XLogP-3.60
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-3.60
H-Bond Donors ≤ 50
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-ethyl-N-methylsulfamate?
The IUPAC name of lithium N-ethyl-N-methylsulfamate (CID 156663388) is lithium N-ethyl-N-methylsulfamate.
What is the SMILES notation for lithium N-ethyl-N-methylsulfamate?
The canonical SMILES for lithium N-ethyl-N-methylsulfamate is CCN(C)S(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium N-ethyl-N-methylsulfamate?
The InChIKey is CARRASBWEIQVAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9NO3S.Li/c1-3-4(2)8(5,6)7;/h3H2,1-2H3,(H,5,6,7);/q;+1/p-1.
What are the key properties of lithium N-ethyl-N-methylsulfamate?
lithium N-ethyl-N-methylsulfamate has a molecular weight of 145.11 g/mol, XLogP of -3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-ethyl-N-methylsulfamate is sourced from PubChem (CID 156663388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).