(E)-N-ethoxy-1-thiophen-2-ylmethanimine

C7H9NOS — CID 11344134

IUPAC(E)-N-ethoxy-1-thiophen-2-ylmethanimine
SMILESCCO/N=C/c1cccs1
InChIInChI=1S/C7H9NOS/c1-2-9-8-6-7-4-3-5-10-7/h3-6H,2H2,1H3/b8-6+
InChIKeyZEAMAXXOFDKDIO-SOFGYWHQSA-N
MW155.22 g/mol
LogP2.12
Rot. Bonds3

About (E)-N-ethoxy-1-thiophen-2-ylmethanimine

(E)-N-ethoxy-1-thiophen-2-ylmethanimine (PubChem CID 11344134) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is (E)-N-ethoxy-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound Name(E)-N-ethoxy-1-thiophen-2-ylmethanimine
PubChem CID11344134
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name(E)-N-ethoxy-1-thiophen-2-ylmethanimine
SMILESCCO/N=C/c1cccs1
InChIInChI=1S/C7H9NOS/c1-2-9-8-6-7-4-3-5-10-7/h3-6H,2H2,1H3/b8-6+
InChIKeyZEAMAXXOFDKDIO-SOFGYWHQSA-N
XLogP2.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-ethoxy-1-thiophen-2-ylmethanimine 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 (E)-N-ethoxy-1-thiophen-2-ylmethanimine?
The IUPAC name of (E)-N-ethoxy-1-thiophen-2-ylmethanimine (CID 11344134) is (E)-N-ethoxy-1-thiophen-2-ylmethanimine.
What is the SMILES notation for (E)-N-ethoxy-1-thiophen-2-ylmethanimine?
The canonical SMILES for (E)-N-ethoxy-1-thiophen-2-ylmethanimine is CCO/N=C/c1cccs1.
What is the InChIKey of (E)-N-ethoxy-1-thiophen-2-ylmethanimine?
The InChIKey is ZEAMAXXOFDKDIO-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9NOS/c1-2-9-8-6-7-4-3-5-10-7/h3-6H,2H2,1H3/b8-6+.
What are the key properties of (E)-N-ethoxy-1-thiophen-2-ylmethanimine?
(E)-N-ethoxy-1-thiophen-2-ylmethanimine has a molecular weight of 155.22 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 11344134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).