5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C10H15NS — CID 23593713

IUPAC5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCC1CCc2sccc2C1N
InChIInChI=1S/C10H15NS/c1-2-7-3-4-9-8(10(7)11)5-6-12-9/h5-7,10H,2-4,11H2,1H3
InChIKeyAZRPKQHCJJIBFO-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.72
Rot. Bonds1

About 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 23593713) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound Name5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID23593713
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCC1CCc2sccc2C1N
InChIInChI=1S/C10H15NS/c1-2-7-3-4-9-8(10(7)11)5-6-12-9/h5-7,10H,2-4,11H2,1H3
InChIKeyAZRPKQHCJJIBFO-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-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 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 23593713) is 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CCC1CCc2sccc2C1N.
What is the InChIKey of 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is AZRPKQHCJJIBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-2-7-3-4-9-8(10(7)11)5-6-12-9/h5-7,10H,2-4,11H2,1H3.
What are the key properties of 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 181.30 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 23593713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).