(1-aminocyclohexyl) N-cyclohexylsulfamate

C12H24N2O3S — CID 87589048

IUPAC(1-aminocyclohexyl) N-cyclohexylsulfamate
SMILESNC1(OS(=O)(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C12H24N2O3S/c13-12(9-5-2-6-10-12)17-18(15,16)14-11-7-3-1-4-8-11/h11,14H,1-10,13H2
InChIKeyMXTNKSPTGOHDTB-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.79
Rot. Bonds4

About (1-aminocyclohexyl) N-cyclohexylsulfamate

(1-aminocyclohexyl) N-cyclohexylsulfamate (PubChem CID 87589048) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is (1-aminocyclohexyl) N-cyclohexylsulfamate.

Molecular Properties

Compound Name(1-aminocyclohexyl) N-cyclohexylsulfamate
PubChem CID87589048
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name(1-aminocyclohexyl) N-cyclohexylsulfamate
SMILESNC1(OS(=O)(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C12H24N2O3S/c13-12(9-5-2-6-10-12)17-18(15,16)14-11-7-3-1-4-8-11/h11,14H,1-10,13H2
InChIKeyMXTNKSPTGOHDTB-UHFFFAOYSA-N
XLogP1.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl) N-cyclohexylsulfamate?
The IUPAC name of (1-aminocyclohexyl) N-cyclohexylsulfamate (CID 87589048) is (1-aminocyclohexyl) N-cyclohexylsulfamate.
What is the SMILES notation for (1-aminocyclohexyl) N-cyclohexylsulfamate?
The canonical SMILES for (1-aminocyclohexyl) N-cyclohexylsulfamate is NC1(OS(=O)(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl) N-cyclohexylsulfamate?
The InChIKey is MXTNKSPTGOHDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c13-12(9-5-2-6-10-12)17-18(15,16)14-11-7-3-1-4-8-11/h11,14H,1-10,13H2.
What are the key properties of (1-aminocyclohexyl) N-cyclohexylsulfamate?
(1-aminocyclohexyl) N-cyclohexylsulfamate has a molecular weight of 276.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl) N-cyclohexylsulfamate is sourced from PubChem (CID 87589048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).