N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine

C15H31NO2S — CID 107820018

IUPACN-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine
SMILESCCCCC(CC)CNC1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C15H31NO2S/c1-4-6-8-13(5-2)12-16-14-9-7-10-15(11-14)19(3,17)18/h13-16H,4-12H2,1-3H3
InChIKeyHKXGNXHCLNRPLB-UHFFFAOYSA-N
MW289.48 g/mol
LogP3.15
Rot. Bonds8

About N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine

N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine (PubChem CID 107820018) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine
PubChem CID107820018
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC NameN-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine
SMILESCCCCC(CC)CNC1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C15H31NO2S/c1-4-6-8-13(5-2)12-16-14-9-7-10-15(11-14)19(3,17)18/h13-16H,4-12H2,1-3H3
InChIKeyHKXGNXHCLNRPLB-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

trans-(1R,3R)-N-(2-ethylbutyl)-3-methylsulfonylcyclohexan-1-amine
CID 97096018
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-(2-ethylhexyl)-3-methylcyclopentan-1-amine
CID 64500388
tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate
CID 103720045
trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine
CID 124840533
N-(2-ethyldodecyl)cyclopropanamine
CID 63521510
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
N-(2-ethylhexyl)-2-methylcyclopentan-1-amine
CID 63492296
N-(2-ethylhexyl)-4-propylcyclohexan-1-amine
CID 43080495
N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine
CID 105014365
N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
CID 81392135
N-(2-ethylheptyl)piperidin-4-amine
CID 69327610

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine (CID 107820018) is N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine is CCCCC(CC)CNC1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine?
The InChIKey is HKXGNXHCLNRPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-4-6-8-13(5-2)12-16-14-9-7-10-15(11-14)19(3,17)18/h13-16H,4-12H2,1-3H3.
What are the key properties of N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine?
N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine has a molecular weight of 289.48 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 107820018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).