6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine

C18H16N2S — CID 106948786

IUPAC6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine
SMILESNc1c(Sc2ccc3c(c2)CCC3)ccc2cnccc12
InChIInChI=1S/C18H16N2S/c19-18-16-8-9-20-11-14(16)5-7-17(18)21-15-6-4-12-2-1-3-13(12)10-15/h4-11H,1-3,19H2
InChIKeyXYKMMCNSWFSITR-UHFFFAOYSA-N
MW292.41 g/mol
LogP4.46
Rot. Bonds2

About 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine

6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine (PubChem CID 106948786) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine
PubChem CID106948786
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine
SMILESNc1c(Sc2ccc3c(c2)CCC3)ccc2cnccc12
InChIInChI=1S/C18H16N2S/c19-18-16-8-9-20-11-14(16)5-7-17(18)21-15-6-4-12-2-1-3-13(12)10-15/h4-11H,1-3,19H2
InChIKeyXYKMMCNSWFSITR-UHFFFAOYSA-N
XLogP4.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine 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 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine (CID 106948786) is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine is Nc1c(Sc2ccc3c(c2)CCC3)ccc2cnccc12.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine?
The InChIKey is XYKMMCNSWFSITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c19-18-16-8-9-20-11-14(16)5-7-17(18)21-15-6-4-12-2-1-3-13(12)10-15/h4-11H,1-3,19H2.
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine?
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine has a molecular weight of 292.41 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine is sourced from PubChem (CID 106948786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).