[(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol

C11H15NOS — CID 130607756

IUPAC[(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
SMILESCSc1cccc2c1CCN[C@H]2CO
InChIInChI=1S/C11H15NOS/c1-14-11-4-2-3-8-9(11)5-6-12-10(8)7-13/h2-4,10,12-13H,5-7H2,1H3/t10-/m0/s1
InChIKeyJPYKLXYNQPCAEF-JTQLQIEISA-N
MW209.31 g/mol
LogP1.59
Rot. Bonds2

About [(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol

[(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol (PubChem CID 130607756) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is [(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
PubChem CID130607756
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name[(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
SMILESCSc1cccc2c1CCN[C@H]2CO
InChIInChI=1S/C11H15NOS/c1-14-11-4-2-3-8-9(11)5-6-12-10(8)7-13/h2-4,10,12-13H,5-7H2,1H3/t10-/m0/s1
InChIKeyJPYKLXYNQPCAEF-JTQLQIEISA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 96994557
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 96993138
5-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 62374078
(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 96972794
(7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 83358890
[(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130900884
4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
CID 55068561
N-[1-(iodomethyl)-1,2,3,4-tetrahydroisoquinolin-5-yl]acetamide
CID 68879930
6-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84678817
[(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130703927
1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 67158558

Frequently Asked Questions

What is the IUPAC name of [(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol?
The IUPAC name of [(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol (CID 130607756) is [(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol.
What is the SMILES notation for [(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol?
The canonical SMILES for [(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol is CSc1cccc2c1CCN[C@H]2CO.
What is the InChIKey of [(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol?
The InChIKey is JPYKLXYNQPCAEF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NOS/c1-14-11-4-2-3-8-9(11)5-6-12-10(8)7-13/h2-4,10,12-13H,5-7H2,1H3/t10-/m0/s1.
What are the key properties of [(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol?
[(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol has a molecular weight of 209.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol is sourced from PubChem (CID 130607756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).