2-cyclohexylsulfanyl-1-quinolin-3-ylethanol

C17H21NOS — CID 65140040

IUPAC2-cyclohexylsulfanyl-1-quinolin-3-ylethanol
SMILESOC(CSC1CCCCC1)c1cnc2ccccc2c1
InChIInChI=1S/C17H21NOS/c19-17(12-20-15-7-2-1-3-8-15)14-10-13-6-4-5-9-16(13)18-11-14/h4-6,9-11,15,17,19H,1-3,7-8,12H2
InChIKeyBJTCQBYDWJRBFL-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.33
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-quinolin-3-ylethanol

2-cyclohexylsulfanyl-1-quinolin-3-ylethanol (PubChem CID 65140040) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-quinolin-3-ylethanol.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-quinolin-3-ylethanol
PubChem CID65140040
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-cyclohexylsulfanyl-1-quinolin-3-ylethanol
SMILESOC(CSC1CCCCC1)c1cnc2ccccc2c1
InChIInChI=1S/C17H21NOS/c19-17(12-20-15-7-2-1-3-8-15)14-10-13-6-4-5-9-16(13)18-11-14/h4-6,9-11,15,17,19H,1-3,7-8,12H2
InChIKeyBJTCQBYDWJRBFL-UHFFFAOYSA-N
XLogP4.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol
CID 81220822
2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol
CID 65139338
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol
CID 65139697
2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol
CID 65139691
1-quinolin-3-ylbutan-1-ol
CID 60924193
1-quinolin-3-ylbut-3-en-1-ol
CID 77273716
2-(cyclohexylamino)-2-quinolin-3-ylacetaldehyde;dihydrochloride
CID 87121205
2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol
CID 65139790
1-quinolin-3-yl-2-thiophen-3-ylethanol
CID 105079392
2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol
CID 103143427
fluoro(quinolin-3-yl)methanol
CID 163892772
1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol
CID 103452070

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-quinolin-3-ylethanol?
The IUPAC name of 2-cyclohexylsulfanyl-1-quinolin-3-ylethanol (CID 65140040) is 2-cyclohexylsulfanyl-1-quinolin-3-ylethanol.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-quinolin-3-ylethanol?
The canonical SMILES for 2-cyclohexylsulfanyl-1-quinolin-3-ylethanol is OC(CSC1CCCCC1)c1cnc2ccccc2c1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-quinolin-3-ylethanol?
The InChIKey is BJTCQBYDWJRBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c19-17(12-20-15-7-2-1-3-8-15)14-10-13-6-4-5-9-16(13)18-11-14/h4-6,9-11,15,17,19H,1-3,7-8,12H2.
What are the key properties of 2-cyclohexylsulfanyl-1-quinolin-3-ylethanol?
2-cyclohexylsulfanyl-1-quinolin-3-ylethanol has a molecular weight of 287.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-quinolin-3-ylethanol is sourced from PubChem (CID 65140040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).