1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one

C16H17NOS — CID 55126948

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2C1CCCc2sccc21
InChIInChI=1S/C16H17NOS/c18-15-5-1-3-13-11(15)7-9-17(13)14-4-2-6-16-12(14)8-10-19-16/h7-10,14H,1-6H2
InChIKeyDGQVGZBBVNWPHL-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.99
Rot. Bonds1

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one

1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one (PubChem CID 55126948) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one
PubChem CID55126948
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2C1CCCc2sccc21
InChIInChI=1S/C16H17NOS/c18-15-5-1-3-13-11(15)7-9-17(13)14-4-2-6-16-12(14)8-10-19-16/h7-10,14H,1-6H2
InChIKeyDGQVGZBBVNWPHL-UHFFFAOYSA-N
XLogP3.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one 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 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one (CID 55126948) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2C1CCCc2sccc21.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is DGQVGZBBVNWPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c18-15-5-1-3-13-11(15)7-9-17(13)14-4-2-6-16-12(14)8-10-19-16/h7-10,14H,1-6H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one?
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 271.38 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 55126948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).