2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol

C17H21NOS — CID 81220822

IUPAC2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol
SMILESCc1ccc2cc(C(O)CSC3CCCC3)ccc2n1
InChIInChI=1S/C17H21NOS/c1-12-6-7-13-10-14(8-9-16(13)18-12)17(19)11-20-15-4-2-3-5-15/h6-10,15,17,19H,2-5,11H2,1H3
InChIKeyNWOJBAXPGUCGGQ-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.25
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol

2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol (PubChem CID 81220822) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol
PubChem CID81220822
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol
SMILESCc1ccc2cc(C(O)CSC3CCCC3)ccc2n1
InChIInChI=1S/C17H21NOS/c1-12-6-7-13-10-14(8-9-16(13)18-12)17(19)11-20-15-4-2-3-5-15/h6-10,15,17,19H,2-5,11H2,1H3
InChIKeyNWOJBAXPGUCGGQ-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol?
The IUPAC name of 2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol (CID 81220822) is 2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol is Cc1ccc2cc(C(O)CSC3CCCC3)ccc2n1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol?
The InChIKey is NWOJBAXPGUCGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12-6-7-13-10-14(8-9-16(13)18-12)17(19)11-20-15-4-2-3-5-15/h6-10,15,17,19H,2-5,11H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol?
2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol has a molecular weight of 287.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol is sourced from PubChem (CID 81220822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).