2-(N-propylanilino)ethyl N-cyclohexylsulfamate

C17H28N2O3S — CID 88790269

IUPAC2-(N-propylanilino)ethyl N-cyclohexylsulfamate
SMILESCCCN(CCOS(=O)(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H28N2O3S/c1-2-13-19(17-11-7-4-8-12-17)14-15-22-23(20,21)18-16-9-5-3-6-10-16/h4,7-8,11-12,16,18H,2-3,5-6,9-10,13-15H2,1H3
InChIKeyKKRVIMFLMONRRE-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.09
Rot. Bonds9

About 2-(N-propylanilino)ethyl N-cyclohexylsulfamate

2-(N-propylanilino)ethyl N-cyclohexylsulfamate (PubChem CID 88790269) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-(N-propylanilino)ethyl N-cyclohexylsulfamate.

Molecular Properties

Compound Name2-(N-propylanilino)ethyl N-cyclohexylsulfamate
PubChem CID88790269
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name2-(N-propylanilino)ethyl N-cyclohexylsulfamate
SMILESCCCN(CCOS(=O)(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H28N2O3S/c1-2-13-19(17-11-7-4-8-12-17)14-15-22-23(20,21)18-16-9-5-3-6-10-16/h4,7-8,11-12,16,18H,2-3,5-6,9-10,13-15H2,1H3
InChIKeyKKRVIMFLMONRRE-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(N-propylanilino)ethyl N-cyclohexylsulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(N-propylanilino)ethyl N-cyclohexylsulfamate?
The IUPAC name of 2-(N-propylanilino)ethyl N-cyclohexylsulfamate (CID 88790269) is 2-(N-propylanilino)ethyl N-cyclohexylsulfamate.
What is the SMILES notation for 2-(N-propylanilino)ethyl N-cyclohexylsulfamate?
The canonical SMILES for 2-(N-propylanilino)ethyl N-cyclohexylsulfamate is CCCN(CCOS(=O)(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(N-propylanilino)ethyl N-cyclohexylsulfamate?
The InChIKey is KKRVIMFLMONRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-2-13-19(17-11-7-4-8-12-17)14-15-22-23(20,21)18-16-9-5-3-6-10-16/h4,7-8,11-12,16,18H,2-3,5-6,9-10,13-15H2,1H3.
What are the key properties of 2-(N-propylanilino)ethyl N-cyclohexylsulfamate?
2-(N-propylanilino)ethyl N-cyclohexylsulfamate has a molecular weight of 340.49 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-propylanilino)ethyl N-cyclohexylsulfamate is sourced from PubChem (CID 88790269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).