[3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium

C15H16NO2S+ — CID 163656435

IUPAC[3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium
SMILES[NH3+]CCC(Oc1cccc2ccoc12)c1ccsc1
InChIInChI=1S/C15H15NO2S/c16-7-4-13(12-6-9-19-10-12)18-14-3-1-2-11-5-8-17-15(11)14/h1-3,5-6,8-10,13H,4,7,16H2/p+1
InChIKeyIQPSZMKBCKRSKS-UHFFFAOYSA-O
MW274.37 g/mol
LogP3.25
Rot. Bonds5

About [3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium

[3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium (PubChem CID 163656435) has the molecular formula C15H16NO2S+ and a molecular weight of 274.37 g/mol. Its IUPAC name is [3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium.

Molecular Properties

Compound Name[3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium
PubChem CID163656435
Molecular FormulaC15H16NO2S+
Molecular Weight274.37 g/mol
Exact Mass274.09
IUPAC Name[3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium
SMILES[NH3+]CCC(Oc1cccc2ccoc12)c1ccsc1
InChIInChI=1S/C15H15NO2S/c16-7-4-13(12-6-9-19-10-12)18-14-3-1-2-11-5-8-17-15(11)14/h1-3,5-6,8-10,13H,4,7,16H2/p+1
InChIKeyIQPSZMKBCKRSKS-UHFFFAOYSA-O
XLogP3.25
TPSA50.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium 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-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium?
The IUPAC name of [3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium (CID 163656435) is [3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium.
What is the SMILES notation for [3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium?
The canonical SMILES for [3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium is [NH3+]CCC(Oc1cccc2ccoc12)c1ccsc1.
What is the InChIKey of [3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium?
The InChIKey is IQPSZMKBCKRSKS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15NO2S/c16-7-4-13(12-6-9-19-10-12)18-14-3-1-2-11-5-8-17-15(11)14/h1-3,5-6,8-10,13H,4,7,16H2/p+1.
What are the key properties of [3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium?
[3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium has a molecular weight of 274.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzofuran-7-yloxy)-3-thiophen-3-ylpropyl]azanium is sourced from PubChem (CID 163656435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).