[(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol

C11H15NOS — CID 130626606

IUPAC[(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol
SMILESCSc1ccc2c(c1)CC[C@H](CO)N2
InChIInChI=1S/C11H15NOS/c1-14-10-4-5-11-8(6-10)2-3-9(7-13)12-11/h4-6,9,12-13H,2-3,7H2,1H3/t9-/m1/s1
InChIKeyQNLIBSSBIWYTQL-SECBINFHSA-N
MW209.31 g/mol
LogP2.13
Rot. Bonds2

About [(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol

[(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol (PubChem CID 130626606) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is [(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol
PubChem CID130626606
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name[(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol
SMILESCSc1ccc2c(c1)CC[C@H](CO)N2
InChIInChI=1S/C11H15NOS/c1-14-10-4-5-11-8(6-10)2-3-9(7-13)12-11/h4-6,9,12-13H,2-3,7H2,1H3/t9-/m1/s1
InChIKeyQNLIBSSBIWYTQL-SECBINFHSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
The IUPAC name of [(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol (CID 130626606) is [(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol.
What is the SMILES notation for [(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
The canonical SMILES for [(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol is CSc1ccc2c(c1)CC[C@H](CO)N2.
What is the InChIKey of [(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
The InChIKey is QNLIBSSBIWYTQL-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NOS/c1-14-10-4-5-11-8(6-10)2-3-9(7-13)12-11/h4-6,9,12-13H,2-3,7H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
[(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol has a molecular weight of 209.31 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol is sourced from PubChem (CID 130626606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).