N-(4-methylcyclohexyl)sulfamate

C7H14NO3S- — CID 21124848

IUPACN-(4-methylcyclohexyl)sulfamate
SMILESCC1CCC(NS(=O)(=O)[O-])CC1
InChIInChI=1S/C7H15NO3S/c1-6-2-4-7(5-3-6)8-12(9,10)11/h6-8H,2-5H2,1H3,(H,9,10,11)/p-1
InChIKeyOKMIUTYJRRTONA-UHFFFAOYSA-M
MW192.26 g/mol
LogP0.61
Rot. Bonds2

About N-(4-methylcyclohexyl)sulfamate

N-(4-methylcyclohexyl)sulfamate (PubChem CID 21124848) has the molecular formula C7H14NO3S- and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)sulfamate.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)sulfamate
PubChem CID21124848
Molecular FormulaC7H14NO3S-
Molecular Weight192.26 g/mol
Exact Mass192.07
IUPAC NameN-(4-methylcyclohexyl)sulfamate
SMILESCC1CCC(NS(=O)(=O)[O-])CC1
InChIInChI=1S/C7H15NO3S/c1-6-2-4-7(5-3-6)8-12(9,10)11/h6-8H,2-5H2,1H3,(H,9,10,11)/p-1
InChIKeyOKMIUTYJRRTONA-UHFFFAOYSA-M
XLogP0.61
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.61
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-(4-methylcyclohexyl)sulfamate?
The IUPAC name of N-(4-methylcyclohexyl)sulfamate (CID 21124848) is N-(4-methylcyclohexyl)sulfamate.
What is the SMILES notation for N-(4-methylcyclohexyl)sulfamate?
The canonical SMILES for N-(4-methylcyclohexyl)sulfamate is CC1CCC(NS(=O)(=O)[O-])CC1.
What is the InChIKey of N-(4-methylcyclohexyl)sulfamate?
The InChIKey is OKMIUTYJRRTONA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15NO3S/c1-6-2-4-7(5-3-6)8-12(9,10)11/h6-8H,2-5H2,1H3,(H,9,10,11)/p-1.
What are the key properties of N-(4-methylcyclohexyl)sulfamate?
N-(4-methylcyclohexyl)sulfamate has a molecular weight of 192.26 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)sulfamate is sourced from PubChem (CID 21124848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).