2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine

C15H23NS — CID 82931065

IUPAC2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine
SMILESCc1cccc(SC(CN)C2CCCCC2)c1
InChIInChI=1S/C15H23NS/c1-12-6-5-9-14(10-12)17-15(11-16)13-7-3-2-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11,16H2,1H3
InChIKeyFMONHWWVZGVHEQ-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.99
Rot. Bonds4

About 2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine

2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine (PubChem CID 82931065) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine
PubChem CID82931065
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine
SMILESCc1cccc(SC(CN)C2CCCCC2)c1
InChIInChI=1S/C15H23NS/c1-12-6-5-9-14(10-12)17-15(11-16)13-7-3-2-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11,16H2,1H3
InChIKeyFMONHWWVZGVHEQ-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

2-(3-bromophenyl)sulfanyl-2-cyclopentylethanamine
CID 82931960
2-cyclopentyl-2-(4-fluorophenyl)sulfanylethanamine
CID 82932342
2-(2-chlorophenyl)sulfanyl-2-cyclohexylethanamine
CID 82931377
1-cyclopentyl-2-(3-methylphenyl)sulfanylethanol
CID 66088334
1-(3-methylphenyl)sulfanylethanamine
CID 117032496
2-cyclopentyl-2-ethylsulfanylethanamine
CID 82931270
trans-(1S,2S)-2-(3-methylphenyl)sulfanylcyclohexan-1-ol
CID 102732787
ethane;1-methyl-3-propan-2-ylsulfanylbenzene
CID 172609121
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol
CID 66087943
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine?
The IUPAC name of 2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine (CID 82931065) is 2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine?
The canonical SMILES for 2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine is Cc1cccc(SC(CN)C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine?
The InChIKey is FMONHWWVZGVHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12-6-5-9-14(10-12)17-15(11-16)13-7-3-2-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11,16H2,1H3.
What are the key properties of 2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine?
2-cyclohexyl-2-(3-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 2-cyclohexyl-2-(3-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 82931065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).