N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine

C11H22ClNO2S — CID 63386703

IUPACN-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine
SMILESCS(=O)(=O)CCN(CCCl)C1CCCCC1
InChIInChI=1S/C11H22ClNO2S/c1-16(14,15)10-9-13(8-7-12)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeyJJIRMAQMSTWPFD-UHFFFAOYSA-N
MW267.82 g/mol
LogP1.90
Rot. Bonds6

About N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine

N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine (PubChem CID 63386703) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine
PubChem CID63386703
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC NameN-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine
SMILESCS(=O)(=O)CCN(CCCl)C1CCCCC1
InChIInChI=1S/C11H22ClNO2S/c1-16(14,15)10-9-13(8-7-12)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeyJJIRMAQMSTWPFD-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine 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 N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine?
The IUPAC name of N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine (CID 63386703) is N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine is CS(=O)(=O)CCN(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine?
The InChIKey is JJIRMAQMSTWPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-16(14,15)10-9-13(8-7-12)11-5-3-2-4-6-11/h11H,2-10H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine?
N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine has a molecular weight of 267.82 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2-methylsulfonylethyl)cyclohexanamine is sourced from PubChem (CID 63386703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).