1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine

C16H25NS — CID 66066194

IUPAC1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C16H25NS/c1-13-8-10-15(11-9-13)18-12-16(17-2)14-6-4-3-5-7-14/h8-11,14,16-17H,3-7,12H2,1-2H3
InChIKeyDOXORYXDCGXIEZ-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.26
Rot. Bonds5

About 1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine

1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine (PubChem CID 66066194) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
PubChem CID66066194
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C16H25NS/c1-13-8-10-15(11-9-13)18-12-16(17-2)14-6-4-3-5-7-14/h8-11,14,16-17H,3-7,12H2,1-2H3
InChIKeyDOXORYXDCGXIEZ-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755248
2-(4-tert-butylphenyl)sulfanyl-1-cyclopentyl-N-methylethanamine
CID 104755455
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013
1-cyclohexyl-N-methyl-2-(4-nitrophenyl)sulfanylethanamine
CID 104755032
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
CID 66064798
2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82932393
1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine
CID 104755547
2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
CID 66147681
2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82931115
1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66066581
2-(4-chlorophenyl)sulfanyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 66144743
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 66072853

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine (CID 66066194) is 1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine is CNC(CSc1ccc(C)cc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine?
The InChIKey is DOXORYXDCGXIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-13-8-10-15(11-9-13)18-12-16(17-2)14-6-4-3-5-7-14/h8-11,14,16-17H,3-7,12H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine?
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine has a molecular weight of 263.45 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66066194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).