N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine

C15H31NO2S — CID 106735579

IUPACN-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine
SMILESCCS(=O)(=O)CCC1CC(C)CCC1CNC(C)C
InChIInChI=1S/C15H31NO2S/c1-5-19(17,18)9-8-14-10-13(4)6-7-15(14)11-16-12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyQAQOWLNQANLDJZ-UHFFFAOYSA-N
MW289.48 g/mol
LogP2.86
Rot. Bonds7

About N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine

N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine (PubChem CID 106735579) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine
PubChem CID106735579
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC NameN-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine
SMILESCCS(=O)(=O)CCC1CC(C)CCC1CNC(C)C
InChIInChI=1S/C15H31NO2S/c1-5-19(17,18)9-8-14-10-13(4)6-7-15(14)11-16-12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyQAQOWLNQANLDJZ-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
2-cyclohexyl-N-[(1,1-dioxothiolan-2-yl)methyl]cyclohexan-1-amine
CID 75539689
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
(3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine
CID 128860817
3-Butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
CID 167269058
N-ethyl-4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105113045
N-ethyl-4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105113143
N-methyl-4-methylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105113326
N-ethyl-4-methylsulfonyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105113461
N-methyl-4-methylsulfonyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105113554
N-methyl-4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105113555

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine (CID 106735579) is N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine is CCS(=O)(=O)CCC1CC(C)CCC1CNC(C)C.
What is the InChIKey of N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine?
The InChIKey is QAQOWLNQANLDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-5-19(17,18)9-8-14-10-13(4)6-7-15(14)11-16-12(2)3/h12-16H,5-11H2,1-4H3.
What are the key properties of N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine?
N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine has a molecular weight of 289.48 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 106735579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).