1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine

C17H27NOS — CID 104754430

IUPAC1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine
SMILESCNC(CS(=O)c1cc(C)ccc1C)C1CCCCC1
InChIInChI=1S/C17H27NOS/c1-13-9-10-14(2)17(11-13)20(19)12-16(18-3)15-7-5-4-6-8-15/h9-11,15-16,18H,4-8,12H2,1-3H3
InChIKeyOPIFIPQUNGEKID-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.58
Rot. Bonds5

About 1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine

1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine (PubChem CID 104754430) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine
PubChem CID104754430
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine
SMILESCNC(CS(=O)c1cc(C)ccc1C)C1CCCCC1
InChIInChI=1S/C17H27NOS/c1-13-9-10-14(2)17(11-13)20(19)12-16(18-3)15-7-5-4-6-8-15/h9-11,15-16,18H,4-8,12H2,1-3H3
InChIKeyOPIFIPQUNGEKID-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)sulfinyl-N-methylbutan-2-amine
CID 64659088
1-cyclobutyl-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62539513
1-(2,5-dimethylphenyl)sulfinyl-N-methylpentan-2-amine
CID 64657721
N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
CID 104754748
2-(2,5-dimethylphenyl)sulfinyl-N-methylcycloheptan-1-amine
CID 64660066
1-(2,5-dimethylphenyl)sulfinyl-N-propylpropan-2-amine
CID 64659676
2-(2,5-dimethylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64658501
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine
CID 104754680
2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749395
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine?
The IUPAC name of 1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine (CID 104754430) is 1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine?
The canonical SMILES for 1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine is CNC(CS(=O)c1cc(C)ccc1C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine?
The InChIKey is OPIFIPQUNGEKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-13-9-10-14(2)17(11-13)20(19)12-16(18-3)15-7-5-4-6-8-15/h9-11,15-16,18H,4-8,12H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine?
1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine has a molecular weight of 293.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine is sourced from PubChem (CID 104754430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).