sodium N-cyclohexylsulfamate

C6H12NNaO3S — CID 23665706

IUPACsodium N-cyclohexylsulfamate
SMILESO=S(=O)([O-])NC1CCCCC1.[Na+]
InChIInChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
InChIKeyUDIPTWFVPPPURJ-UHFFFAOYSA-M
MW201.22 g/mol
LogP-2.63
Rot. Bonds2

About sodium N-cyclohexylsulfamate

sodium N-cyclohexylsulfamate (PubChem CID 23665706) has the molecular formula C6H12NNaO3S and a molecular weight of 201.22 g/mol. Its IUPAC name is sodium N-cyclohexylsulfamate.

Molecular Properties

Compound Namesodium N-cyclohexylsulfamate
PubChem CID23665706
Molecular FormulaC6H12NNaO3S
Molecular Weight201.22 g/mol
Exact Mass201.04
IUPAC Namesodium N-cyclohexylsulfamate
SMILESO=S(=O)([O-])NC1CCCCC1.[Na+]
InChIInChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
InChIKeyUDIPTWFVPPPURJ-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 ≤ 500201.22
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'}

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Frequently Asked Questions

What is the IUPAC name of sodium N-cyclohexylsulfamate?
The IUPAC name of sodium N-cyclohexylsulfamate (CID 23665706) is sodium N-cyclohexylsulfamate.
What is the SMILES notation for sodium N-cyclohexylsulfamate?
The canonical SMILES for sodium N-cyclohexylsulfamate is O=S(=O)([O-])NC1CCCCC1.[Na+].
What is the InChIKey of sodium N-cyclohexylsulfamate?
The InChIKey is UDIPTWFVPPPURJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO3S.Na/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 sodium N-cyclohexylsulfamate?
sodium N-cyclohexylsulfamate has a molecular weight of 201.22 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 sodium N-cyclohexylsulfamate is sourced from PubChem (CID 23665706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).