10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

C20H23NS — CID 14748731

IUPAC10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
SMILESCSc1ccc(C2CN3CCCC3c3c(C)cccc32)cc1
InChIInChI=1S/C20H23NS/c1-14-5-3-6-17-18(15-8-10-16(22-2)11-9-15)13-21-12-4-7-19(21)20(14)17/h3,5-6,8-11,18-19H,4,7,12-13H2,1-2H3
InChIKeyXXJIJVCRQQOZNH-UHFFFAOYSA-N
MW309.48 g/mol
LogP5.00
Rot. Bonds2

About 10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline (PubChem CID 14748731) has the molecular formula C20H23NS and a molecular weight of 309.48 g/mol. Its IUPAC name is 10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
PubChem CID14748731
Molecular FormulaC20H23NS
Molecular Weight309.48 g/mol
Exact Mass309.16
IUPAC Name10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
SMILESCSc1ccc(C2CN3CCCC3c3c(C)cccc32)cc1
InChIInChI=1S/C20H23NS/c1-14-5-3-6-17-18(15-8-10-16(22-2)11-9-15)13-21-12-4-7-19(21)20(14)17/h3,5-6,8-11,18-19H,4,7,12-13H2,1-2H3
InChIKeyXXJIJVCRQQOZNH-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The IUPAC name of 10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline (CID 14748731) is 10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline is CSc1ccc(C2CN3CCCC3c3c(C)cccc32)cc1.
What is the InChIKey of 10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
The InChIKey is XXJIJVCRQQOZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NS/c1-14-5-3-6-17-18(15-8-10-16(22-2)11-9-15)13-21-12-4-7-19(21)20(14)17/h3,5-6,8-11,18-19H,4,7,12-13H2,1-2H3.
What are the key properties of 10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline?
10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline has a molecular weight of 309.48 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 14748731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).