2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine

C15H23NO3S — CID 64675196

IUPAC2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CS(=O)(=O)C2CCCCC2)cc1
InChIInChI=1S/C15H23NO3S/c1-19-13-9-7-12(8-10-13)15(16)11-20(17,18)14-5-3-2-4-6-14/h7-10,14-15H,2-6,11,16H2,1H3
InChIKeySGBQCNHRNUIUJL-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.44
Rot. Bonds5

About 2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine

2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine (PubChem CID 64675196) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine
PubChem CID64675196
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CS(=O)(=O)C2CCCCC2)cc1
InChIInChI=1S/C15H23NO3S/c1-19-13-9-7-12(8-10-13)15(16)11-20(17,18)14-5-3-2-4-6-14/h7-10,14-15H,2-6,11,16H2,1H3
InChIKeySGBQCNHRNUIUJL-UHFFFAOYSA-N
XLogP2.44
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64646771
1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758080
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538
2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 66323024
2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine
CID 64657292
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 82747780
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
CID 110302059
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide
CID 110308806
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 63504313
1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645393
ethyl 2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfonylacetate
CID 64676363

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine (CID 64675196) is 2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)CS(=O)(=O)C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine?
The InChIKey is SGBQCNHRNUIUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-19-13-9-7-12(8-10-13)15(16)11-20(17,18)14-5-3-2-4-6-14/h7-10,14-15H,2-6,11,16H2,1H3.
What are the key properties of 2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine?
2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine has a molecular weight of 297.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 64675196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).