4-amino-5,6-dihydro-4H-1-benzothiophen-7-one

C8H9NOS — CID 23347796

IUPAC4-amino-5,6-dihydro-4H-1-benzothiophen-7-one
SMILESNC1CCC(=O)c2sccc21
InChIInChI=1S/C8H9NOS/c9-6-1-2-7(10)8-5(6)3-4-11-8/h3-4,6H,1-2,9H2
InChIKeyMAKLVOVYKONBGP-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.72
Rot. Bonds

About 4-amino-5,6-dihydro-4H-1-benzothiophen-7-one

4-amino-5,6-dihydro-4H-1-benzothiophen-7-one (PubChem CID 23347796) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 4-amino-5,6-dihydro-4H-1-benzothiophen-7-one.

Molecular Properties

Compound Name4-amino-5,6-dihydro-4H-1-benzothiophen-7-one
PubChem CID23347796
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name4-amino-5,6-dihydro-4H-1-benzothiophen-7-one
SMILESNC1CCC(=O)c2sccc21
InChIInChI=1S/C8H9NOS/c9-6-1-2-7(10)8-5(6)3-4-11-8/h3-4,6H,1-2,9H2
InChIKeyMAKLVOVYKONBGP-UHFFFAOYSA-N
XLogP1.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-5,6-dihydro-4H-1-benzothiophen-7-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 4-amino-5,6-dihydro-4H-1-benzothiophen-7-one?
The IUPAC name of 4-amino-5,6-dihydro-4H-1-benzothiophen-7-one (CID 23347796) is 4-amino-5,6-dihydro-4H-1-benzothiophen-7-one.
What is the SMILES notation for 4-amino-5,6-dihydro-4H-1-benzothiophen-7-one?
The canonical SMILES for 4-amino-5,6-dihydro-4H-1-benzothiophen-7-one is NC1CCC(=O)c2sccc21.
What is the InChIKey of 4-amino-5,6-dihydro-4H-1-benzothiophen-7-one?
The InChIKey is MAKLVOVYKONBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c9-6-1-2-7(10)8-5(6)3-4-11-8/h3-4,6H,1-2,9H2.
What are the key properties of 4-amino-5,6-dihydro-4H-1-benzothiophen-7-one?
4-amino-5,6-dihydro-4H-1-benzothiophen-7-one has a molecular weight of 167.23 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,6-dihydro-4H-1-benzothiophen-7-one is sourced from PubChem (CID 23347796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).