N-cyclohexylsulfamate

C6H12NO3S- — CID 3372845

IUPACN-cyclohexylsulfamate
SMILESO=S(=O)([O-])NC1CCCCC1
InChIInChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/p-1
InChIKeyHCAJEUSONLESMK-UHFFFAOYSA-M
MW178.23 g/mol
LogP0.37
Rot. Bonds2

About N-cyclohexylsulfamate

N-cyclohexylsulfamate (PubChem CID 3372845) has the molecular formula C6H12NO3S- and a molecular weight of 178.23 g/mol. Its IUPAC name is N-cyclohexylsulfamate.

Molecular Properties

Compound NameN-cyclohexylsulfamate
PubChem CID3372845
Molecular FormulaC6H12NO3S-
Molecular Weight178.23 g/mol
Exact Mass178.05
IUPAC NameN-cyclohexylsulfamate
SMILESO=S(=O)([O-])NC1CCCCC1
InChIInChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/p-1
InChIKeyHCAJEUSONLESMK-UHFFFAOYSA-M
XLogP0.37
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.37
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 N-cyclohexylsulfamate?
The IUPAC name of N-cyclohexylsulfamate (CID 3372845) is N-cyclohexylsulfamate.
What is the SMILES notation for N-cyclohexylsulfamate?
The canonical SMILES for N-cyclohexylsulfamate is O=S(=O)([O-])NC1CCCCC1.
What is the InChIKey of N-cyclohexylsulfamate?
The InChIKey is HCAJEUSONLESMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/p-1.
What are the key properties of N-cyclohexylsulfamate?
N-cyclohexylsulfamate has a molecular weight of 178.23 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylsulfamate is sourced from PubChem (CID 3372845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).