lithium N-prop-2-enylsulfamate

C3H6LiNO3S — CID 156663438

IUPAClithium N-prop-2-enylsulfamate
SMILESC=CCNS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C3H7NO3S.Li/c1-2-3-4-8(5,6)7;/h2,4H,1,3H2,(H,5,6,7);/q;+1/p-1
InChIKeyVETRMLBISWXWFA-UHFFFAOYSA-M
MW143.09 g/mol
LogP-3.77
Rot. Bonds3

About lithium N-prop-2-enylsulfamate

lithium N-prop-2-enylsulfamate (PubChem CID 156663438) has the molecular formula C3H6LiNO3S and a molecular weight of 143.09 g/mol. Its IUPAC name is lithium N-prop-2-enylsulfamate.

Molecular Properties

Compound Namelithium N-prop-2-enylsulfamate
PubChem CID156663438
Molecular FormulaC3H6LiNO3S
Molecular Weight143.09 g/mol
Exact Mass143.02
IUPAC Namelithium N-prop-2-enylsulfamate
SMILESC=CCNS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C3H7NO3S.Li/c1-2-3-4-8(5,6)7;/h2,4H,1,3H2,(H,5,6,7);/q;+1/p-1
InChIKeyVETRMLBISWXWFA-UHFFFAOYSA-M
XLogP-3.77
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.09
LogP ≤ 5-3.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium N-prop-2-enylsulfamate?
The IUPAC name of lithium N-prop-2-enylsulfamate (CID 156663438) is lithium N-prop-2-enylsulfamate.
What is the SMILES notation for lithium N-prop-2-enylsulfamate?
The canonical SMILES for lithium N-prop-2-enylsulfamate is C=CCNS(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium N-prop-2-enylsulfamate?
The InChIKey is VETRMLBISWXWFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO3S.Li/c1-2-3-4-8(5,6)7;/h2,4H,1,3H2,(H,5,6,7);/q;+1/p-1.
What are the key properties of lithium N-prop-2-enylsulfamate?
lithium N-prop-2-enylsulfamate has a molecular weight of 143.09 g/mol, XLogP of -3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-prop-2-enylsulfamate is sourced from PubChem (CID 156663438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).