1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol

C11H15NOS — CID 83358374

IUPAC1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESCC(S)C1NCCc2cccc(O)c21
InChIInChI=1S/C11H15NOS/c1-7(14)11-10-8(5-6-12-11)3-2-4-9(10)13/h2-4,7,11-14H,5-6H2,1H3
InChIKeyFPASJYBOJPXPLI-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.90
Rot. Bonds1

About 1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol

1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 83358374) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID83358374
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESCC(S)C1NCCc2cccc(O)c21
InChIInChI=1S/C11H15NOS/c1-7(14)11-10-8(5-6-12-11)3-2-4-9(10)13/h2-4,7,11-14H,5-6H2,1H3
InChIKeyFPASJYBOJPXPLI-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 96972246
1-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 174954267
3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol
CID 84732147
1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 83358351
1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
CID 54599320
8-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105445428
1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol
CID 583448
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 121229284
2-propan-2-yl-1,2,3,4-tetrahydroquinolin-8-ol
CID 15360241
5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-3-one
CID 50877055
8-methyl-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 115010745
(1S)-1-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 686375

Frequently Asked Questions

What is the IUPAC name of 1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of 1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 83358374) is 1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for 1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for 1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol is CC(S)C1NCCc2cccc(O)c21.
What is the InChIKey of 1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is FPASJYBOJPXPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7(14)11-10-8(5-6-12-11)3-2-4-9(10)13/h2-4,7,11-14H,5-6H2,1H3.
What are the key properties of 1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol?
1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 209.31 g/mol, XLogP of 1.90, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 83358374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).