(3-aminophenyl) N-cyclohexylsulfamate

C12H18N2O3S — CID 54409987

IUPAC(3-aminophenyl) N-cyclohexylsulfamate
SMILESNc1cccc(OS(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/C12H18N2O3S/c13-10-5-4-8-12(9-10)17-18(15,16)14-11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,13H2
InChIKeyVTKXSMFSZFHVOW-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.81
Rot. Bonds4

About (3-aminophenyl) N-cyclohexylsulfamate

(3-aminophenyl) N-cyclohexylsulfamate (PubChem CID 54409987) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is (3-aminophenyl) N-cyclohexylsulfamate.

Molecular Properties

Compound Name(3-aminophenyl) N-cyclohexylsulfamate
PubChem CID54409987
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name(3-aminophenyl) N-cyclohexylsulfamate
SMILESNc1cccc(OS(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/C12H18N2O3S/c13-10-5-4-8-12(9-10)17-18(15,16)14-11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,13H2
InChIKeyVTKXSMFSZFHVOW-UHFFFAOYSA-N
XLogP1.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl) N-cyclohexylsulfamate?
The IUPAC name of (3-aminophenyl) N-cyclohexylsulfamate (CID 54409987) is (3-aminophenyl) N-cyclohexylsulfamate.
What is the SMILES notation for (3-aminophenyl) N-cyclohexylsulfamate?
The canonical SMILES for (3-aminophenyl) N-cyclohexylsulfamate is Nc1cccc(OS(=O)(=O)NC2CCCCC2)c1.
What is the InChIKey of (3-aminophenyl) N-cyclohexylsulfamate?
The InChIKey is VTKXSMFSZFHVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-10-5-4-8-12(9-10)17-18(15,16)14-11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,13H2.
What are the key properties of (3-aminophenyl) N-cyclohexylsulfamate?
(3-aminophenyl) N-cyclohexylsulfamate has a molecular weight of 270.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl) N-cyclohexylsulfamate is sourced from PubChem (CID 54409987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).