[3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine

C14H29NO2S — CID 106734053

IUPAC[3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
SMILESCCC1CCCC(CN)(CCS(=O)(=O)C(C)C)C1
InChIInChI=1S/C14H29NO2S/c1-4-13-6-5-7-14(10-13,11-15)8-9-18(16,17)12(2)3/h12-13H,4-11,15H2,1-3H3
InChIKeyRBWIZUHDBXCSBF-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.74
Rot. Bonds6

About [3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine

[3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine (PubChem CID 106734053) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is [3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
PubChem CID106734053
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name[3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
SMILESCCC1CCCC(CN)(CCS(=O)(=O)C(C)C)C1
InChIInChI=1S/C14H29NO2S/c1-4-13-6-5-7-14(10-13,11-15)8-9-18(16,17)12(2)3/h12-13H,4-11,15H2,1-3H3
InChIKeyRBWIZUHDBXCSBF-UHFFFAOYSA-N
XLogP2.74
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexan-1-amine
CID 106734170
[3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine
CID 65401872
[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine
CID 104568544
[3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 65400454
N-[[1-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]ethanamine
CID 106729871
[1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine
CID 65403298
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
CID 106730047
[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine
CID 106730398
[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
CID 79125368

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine?
The IUPAC name of [3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine (CID 106734053) is [3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine.
What is the SMILES notation for [3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine?
The canonical SMILES for [3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine is CCC1CCCC(CN)(CCS(=O)(=O)C(C)C)C1.
What is the InChIKey of [3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine?
The InChIKey is RBWIZUHDBXCSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-4-13-6-5-7-14(10-13,11-15)8-9-18(16,17)12(2)3/h12-13H,4-11,15H2,1-3H3.
What are the key properties of [3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine?
[3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine has a molecular weight of 275.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine is sourced from PubChem (CID 106734053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).