1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine

C15H23NS — CID 66096114

IUPAC1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCc1ccccc1SCC(N)C1CCCCC1
InChIInChI=1S/C15H23NS/c1-12-7-5-6-10-15(12)17-11-14(16)13-8-3-2-4-9-13/h5-7,10,13-14H,2-4,8-9,11,16H2,1H3
InChIKeyVDAAHNWCDILXHU-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.99
Rot. Bonds4

About 1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine

1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 66096114) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine
PubChem CID66096114
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCc1ccccc1SCC(N)C1CCCCC1
InChIInChI=1S/C15H23NS/c1-12-7-5-6-10-15(12)17-11-14(16)13-8-3-2-4-9-13/h5-7,10,13-14H,2-4,8-9,11,16H2,1H3
InChIKeyVDAAHNWCDILXHU-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097359
1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine
CID 104755358
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
CID 66064798
1-cyclohexyl-2-thiophen-2-ylsulfanylethanamine
CID 104755139
1-cyclohexyl-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755796
N-methyl-1-(3-methylcyclohexyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66098636
1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine
CID 104755506
1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine
CID 82932599
1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 66096136
1-cycloheptyl-2-(2-methylphenyl)sulfanylethanone
CID 82932173
1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine
CID 104755477
1-cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride
CID 162334204

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine (CID 66096114) is 1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine is Cc1ccccc1SCC(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is VDAAHNWCDILXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12-7-5-6-10-15(12)17-11-14(16)13-8-3-2-4-9-13/h5-7,10,13-14H,2-4,8-9,11,16H2,1H3.
What are the key properties of 1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine?
1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 249.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66096114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).