1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine

C15H31NO2S — CID 106735592

IUPAC1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(CCS(=O)(=O)C(C)C)C1
InChIInChI=1S/C15H31NO2S/c1-5-13-6-7-15(11-16-4)14(10-13)8-9-19(17,18)12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyCWYHLXAAAJFKIG-UHFFFAOYSA-N
MW289.48 g/mol
LogP2.86
Rot. Bonds7

About 1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine

1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 106735592) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is 1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
PubChem CID106735592
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC Name1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(CCS(=O)(=O)C(C)C)C1
InChIInChI=1S/C15H31NO2S/c1-5-13-6-7-15(11-16-4)14(10-13)8-9-19(17,18)12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyCWYHLXAAAJFKIG-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

N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
CID 106735621
N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine
CID 106735482
N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine
CID 106735597
1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 106735635
1-[4-ethyl-2-(2-ethylbutyl)cyclohexyl]-N-methylmethanamine
CID 82934632
N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106735608
N-methyl-1-[4-methyl-2-(2-methylsulfonylethyl)cyclohexyl]methanamine
CID 81032241
1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 81031850
1-[2-(cyclohexylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031700
2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
CID 106735498
N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219
1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
CID 81029078

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine (CID 106735592) is 1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(CCS(=O)(=O)C(C)C)C1.
What is the InChIKey of 1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is CWYHLXAAAJFKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-5-13-6-7-15(11-16-4)14(10-13)8-9-19(17,18)12(2)3/h12-16H,5-11H2,1-4H3.
What are the key properties of 1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine?
1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine 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 1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 106735592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).