2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone

C17H23NOS — CID 79745816

IUPAC2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
SMILESO=C(CSC1CCCCC1)C1CCCc2cccnc21
InChIInChI=1S/C17H23NOS/c19-16(12-20-14-8-2-1-3-9-14)15-10-4-6-13-7-5-11-18-17(13)15/h5,7,11,14-15H,1-4,6,8-10,12H2
InChIKeyFJLITGDLSFFJAA-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.14
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone

2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone (PubChem CID 79745816) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
PubChem CID79745816
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
SMILESO=C(CSC1CCCCC1)C1CCCc2cccnc21
InChIInChI=1S/C17H23NOS/c19-16(12-20-14-8-2-1-3-9-14)15-10-4-6-13-7-5-11-18-17(13)15/h5,7,11,14-15H,1-4,6,8-10,12H2
InChIKeyFJLITGDLSFFJAA-UHFFFAOYSA-N
XLogP4.14
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
CID 79745664
3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 115782065
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
1-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(thian-4-yl)ethanone
CID 105114234
2-(3-fluorophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79731702
2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79746027
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 115782125
3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 116576909

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
The IUPAC name of 2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone (CID 79745816) is 2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone is O=C(CSC1CCCCC1)C1CCCc2cccnc21.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
The InChIKey is FJLITGDLSFFJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c19-16(12-20-14-8-2-1-3-9-14)15-10-4-6-13-7-5-11-18-17(13)15/h5,7,11,14-15H,1-4,6,8-10,12H2.
What are the key properties of 2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone?
2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone has a molecular weight of 289.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone is sourced from PubChem (CID 79745816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).