lithium N-cyclohex-2-en-1-ylsulfamate

C6H10LiNO3S — CID 156663475

IUPAClithium N-cyclohex-2-en-1-ylsulfamate
SMILESO=S(=O)([O-])NC1C=CCCC1.[Li+]
InChIInChI=1S/C6H11NO3S.Li/c8-11(9,10)7-6-4-2-1-3-5-6;/h2,4,6-7H,1,3,5H2,(H,8,9,10);/q;+1/p-1
InChIKeyLTFKGRHMSPHHEG-UHFFFAOYSA-M
MW183.16 g/mol
LogP-2.85
Rot. Bonds2

About lithium N-cyclohex-2-en-1-ylsulfamate

lithium N-cyclohex-2-en-1-ylsulfamate (PubChem CID 156663475) has the molecular formula C6H10LiNO3S and a molecular weight of 183.16 g/mol. Its IUPAC name is lithium N-cyclohex-2-en-1-ylsulfamate.

Molecular Properties

Compound Namelithium N-cyclohex-2-en-1-ylsulfamate
PubChem CID156663475
Molecular FormulaC6H10LiNO3S
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Namelithium N-cyclohex-2-en-1-ylsulfamate
SMILESO=S(=O)([O-])NC1C=CCCC1.[Li+]
InChIInChI=1S/C6H11NO3S.Li/c8-11(9,10)7-6-4-2-1-3-5-6;/h2,4,6-7H,1,3,5H2,(H,8,9,10);/q;+1/p-1
InChIKeyLTFKGRHMSPHHEG-UHFFFAOYSA-M
XLogP-2.85
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-2.85
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-cyclohex-2-en-1-ylsulfamate?
The IUPAC name of lithium N-cyclohex-2-en-1-ylsulfamate (CID 156663475) is lithium N-cyclohex-2-en-1-ylsulfamate.
What is the SMILES notation for lithium N-cyclohex-2-en-1-ylsulfamate?
The canonical SMILES for lithium N-cyclohex-2-en-1-ylsulfamate is O=S(=O)([O-])NC1C=CCCC1.[Li+].
What is the InChIKey of lithium N-cyclohex-2-en-1-ylsulfamate?
The InChIKey is LTFKGRHMSPHHEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO3S.Li/c8-11(9,10)7-6-4-2-1-3-5-6;/h2,4,6-7H,1,3,5H2,(H,8,9,10);/q;+1/p-1.
What are the key properties of lithium N-cyclohex-2-en-1-ylsulfamate?
lithium N-cyclohex-2-en-1-ylsulfamate has a molecular weight of 183.16 g/mol, XLogP of -2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-cyclohex-2-en-1-ylsulfamate is sourced from PubChem (CID 156663475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).