3-(2-aminoethyl)-1-benzothiophen-5-ol

C10H11NOS — CID 25600

IUPAC3-(2-aminoethyl)-1-benzothiophen-5-ol
SMILESNCCc1csc2ccc(O)cc12
InChIInChI=1S/C10H11NOS/c11-4-3-7-6-13-10-2-1-8(12)5-9(7)10/h1-2,5-6,12H,3-4,11H2
InChIKeyONTWCYDBNXHETF-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.11
Rot. Bonds2

About 3-(2-aminoethyl)-1-benzothiophen-5-ol

3-(2-aminoethyl)-1-benzothiophen-5-ol (PubChem CID 25600) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-benzothiophen-5-ol
PubChem CID25600
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name3-(2-aminoethyl)-1-benzothiophen-5-ol
SMILESNCCc1csc2ccc(O)cc12
InChIInChI=1S/C10H11NOS/c11-4-3-7-6-13-10-2-1-8(12)5-9(7)10/h1-2,5-6,12H,3-4,11H2
InChIKeyONTWCYDBNXHETF-UHFFFAOYSA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminoethyl)-1-benzothiophen-5-ol 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 3-(2-aminoethyl)-1-benzothiophen-5-ol?
The IUPAC name of 3-(2-aminoethyl)-1-benzothiophen-5-ol (CID 25600) is 3-(2-aminoethyl)-1-benzothiophen-5-ol.
What is the SMILES notation for 3-(2-aminoethyl)-1-benzothiophen-5-ol?
The canonical SMILES for 3-(2-aminoethyl)-1-benzothiophen-5-ol is NCCc1csc2ccc(O)cc12.
What is the InChIKey of 3-(2-aminoethyl)-1-benzothiophen-5-ol?
The InChIKey is ONTWCYDBNXHETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c11-4-3-7-6-13-10-2-1-8(12)5-9(7)10/h1-2,5-6,12H,3-4,11H2.
What are the key properties of 3-(2-aminoethyl)-1-benzothiophen-5-ol?
3-(2-aminoethyl)-1-benzothiophen-5-ol has a molecular weight of 193.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-benzothiophen-5-ol is sourced from PubChem (CID 25600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).