1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline

C20H24N2S2 — CID 15456489

IUPAC1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline
SMILESCSc1nc(-c2cc3c(c(SC)n2)CCCC3)cc2c1CCCC2
InChIInChI=1S/C20H24N2S2/c1-23-19-15-9-5-3-7-13(15)11-17(21-19)18-12-14-8-4-6-10-16(14)20(22-18)24-2/h11-12H,3-10H2,1-2H3
InChIKeyOWLYPRNIQDFWOZ-UHFFFAOYSA-N
MW356.56 g/mol
LogP5.34
Rot. Bonds3

About 1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline

1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline (PubChem CID 15456489) has the molecular formula C20H24N2S2 and a molecular weight of 356.56 g/mol. Its IUPAC name is 1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline
PubChem CID15456489
Molecular FormulaC20H24N2S2
Molecular Weight356.56 g/mol
Exact Mass356.14
IUPAC Name1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline
SMILESCSc1nc(-c2cc3c(c(SC)n2)CCCC3)cc2c1CCCC2
InChIInChI=1S/C20H24N2S2/c1-23-19-15-9-5-3-7-13(15)11-17(21-19)18-12-14-8-4-6-10-16(14)20(22-18)24-2/h11-12H,3-10H2,1-2H3
InChIKeyOWLYPRNIQDFWOZ-UHFFFAOYSA-N
XLogP5.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.56
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline (CID 15456489) is 1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline is CSc1nc(-c2cc3c(c(SC)n2)CCCC3)cc2c1CCCC2.
What is the InChIKey of 1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is OWLYPRNIQDFWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2S2/c1-23-19-15-9-5-3-7-13(15)11-17(21-19)18-12-14-8-4-6-10-16(14)20(22-18)24-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline?
1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 356.56 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-(1-methylsulfanyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 15456489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).