2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol

C17H21NOS — CID 103143427

IUPAC2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol
SMILESOC(CSC1CCCCC1)c1cccc2ccncc12
InChIInChI=1S/C17H21NOS/c19-17(12-20-14-6-2-1-3-7-14)15-8-4-5-13-9-10-18-11-16(13)15/h4-5,8-11,14,17,19H,1-3,6-7,12H2
InChIKeyJATAYPQVLXPQEA-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.33
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol

2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol (PubChem CID 103143427) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol
PubChem CID103143427
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol
SMILESOC(CSC1CCCCC1)c1cccc2ccncc12
InChIInChI=1S/C17H21NOS/c19-17(12-20-14-6-2-1-3-7-14)15-8-4-5-13-9-10-18-11-16(13)15/h4-5,8-11,14,17,19H,1-3,6-7,12H2
InChIKeyJATAYPQVLXPQEA-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-cyclohexylsulfanyl-1-naphthalen-1-ylethanol
CID 65139691
2-cyclohexylsulfanyl-1-isoquinolin-5-yl-N-methylethanamine
CID 65139457
1-isoquinolin-8-yl-2-phenylsulfanylethanol
CID 103139302
2-(4-chlorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
CID 103143448
2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 65138645
2-cyclohexyl-1-isoquinolin-8-ylethanamine
CID 103135918
(3-cyclohexyl-1-isoquinolin-8-ylpropyl)hydrazine
CID 103141698
1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136425
2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
CID 103143443
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 65139489
2-cyclohexylsulfanyl-1-quinolin-3-ylethanol
CID 65140040

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol?
The IUPAC name of 2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol (CID 103143427) is 2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol?
The canonical SMILES for 2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol is OC(CSC1CCCCC1)c1cccc2ccncc12.
What is the InChIKey of 2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol?
The InChIKey is JATAYPQVLXPQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c19-17(12-20-14-6-2-1-3-7-14)15-8-4-5-13-9-10-18-11-16(13)15/h4-5,8-11,14,17,19H,1-3,6-7,12H2.
What are the key properties of 2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol?
2-cyclohexylsulfanyl-1-isoquinolin-8-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-isoquinolin-8-ylethanol is sourced from PubChem (CID 103143427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).