N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine

C15H31NO2S — CID 106727237

IUPACN,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
SMILESCCCS(=O)(=O)CCC1CC(CC)CCC1NCC
InChIInChI=1S/C15H31NO2S/c1-4-10-19(17,18)11-9-14-12-13(5-2)7-8-15(14)16-6-3/h13-16H,4-12H2,1-3H3
InChIKeyRAUUUCINEIXJMB-UHFFFAOYSA-N
MW289.48 g/mol
LogP3.01
Rot. Bonds8

About N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine

N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine (PubChem CID 106727237) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
PubChem CID106727237
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC NameN,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
SMILESCCCS(=O)(=O)CCC1CC(CC)CCC1NCC
InChIInChI=1S/C15H31NO2S/c1-4-10-19(17,18)11-9-14-12-13(5-2)7-8-15(14)16-6-3/h13-16H,4-12H2,1-3H3
InChIKeyRAUUUCINEIXJMB-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106735608
2-butyl-N,4-diethylcyclohexan-1-amine
CID 63403670
N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727245
1-chloro-4-ethyl-2-(2-propylsulfonylethyl)cyclohexane
CID 106729101
2-decyl-N,4-diethylcyclohexan-1-amine
CID 63403278
N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine
CID 106735597
2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine
CID 79581739
N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine
CID 106732386
N,4-diethyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 62610496
N-ethyl-2-(2-ethylsulfanylethyl)-4-propylcyclohexan-1-amine
CID 113473890
N-ethyl-2-[2-(3-methylbutylsulfonyl)ethyl]cyclopentan-1-amine
CID 107760245
4-tert-butyl-N-ethyl-2-(3-ethylsulfonylpropyl)cyclohexan-1-amine
CID 65097873

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine (CID 106727237) is N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine is CCCS(=O)(=O)CCC1CC(CC)CCC1NCC.
What is the InChIKey of N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is RAUUUCINEIXJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-4-10-19(17,18)11-9-14-12-13(5-2)7-8-15(14)16-6-3/h13-16H,4-12H2,1-3H3.
What are the key properties of N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine?
N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 289.48 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 106727237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).