lithium N-cyclohexylsulfamate

C6H12LiNO3S — CID 59248316

IUPAClithium N-cyclohexylsulfamate
SMILESO=S(=O)([O-])NC1CCCCC1.[Li+]
InChIInChI=1S/C6H13NO3S.Li/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
InChIKeyXZMBIBMIZLHEKU-UHFFFAOYSA-M
MW185.17 g/mol
LogP-2.63
Rot. Bonds2

About lithium N-cyclohexylsulfamate

lithium N-cyclohexylsulfamate (PubChem CID 59248316) has the molecular formula C6H12LiNO3S and a molecular weight of 185.17 g/mol. Its IUPAC name is lithium N-cyclohexylsulfamate.

Molecular Properties

Compound Namelithium N-cyclohexylsulfamate
PubChem CID59248316
Molecular FormulaC6H12LiNO3S
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Namelithium N-cyclohexylsulfamate
SMILESO=S(=O)([O-])NC1CCCCC1.[Li+]
InChIInChI=1S/C6H13NO3S.Li/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
InChIKeyXZMBIBMIZLHEKU-UHFFFAOYSA-M
XLogP-2.63
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 5-2.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium N-cyclohexylsulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclamate
CID 7533
Sodium Cyclamate
CID 23665706
Potassium Cyclamate
CID 23675766
Cyclohexylsulfamate
CID 3372845
N-cyclohexylsulfamide
CID 12355590
CID 139063605
CID 139063605
Cyclohexanamine, sulfate (1:1)
CID 88275
Cyclohexylsulfamyl chloride
CID 12914615
Sulfamide, N-cyclohexyl-N'-methyl-
CID 1513138
Cyclamate magnesium dihydrate
CID 24438
Monocyclohexyl ammonium hydrogen sulphate
CID 5284372
Ammonium cyclohexylsulfamate
CID 9877636

Frequently Asked Questions

What is the IUPAC name of lithium N-cyclohexylsulfamate?
The IUPAC name of lithium N-cyclohexylsulfamate (CID 59248316) is lithium N-cyclohexylsulfamate.
What is the SMILES notation for lithium N-cyclohexylsulfamate?
The canonical SMILES for lithium N-cyclohexylsulfamate is O=S(=O)([O-])NC1CCCCC1.[Li+].
What is the InChIKey of lithium N-cyclohexylsulfamate?
The InChIKey is XZMBIBMIZLHEKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO3S.Li/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1.
What are the key properties of lithium N-cyclohexylsulfamate?
lithium N-cyclohexylsulfamate has a molecular weight of 185.17 g/mol, XLogP of -2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-cyclohexylsulfamate is sourced from PubChem (CID 59248316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).