N-phenyl-1-thiophen-3-ylmethanimine

C11H9NS — CID 15890129

IUPACN-phenyl-1-thiophen-3-ylmethanimine
SMILESC(=N/c1ccccc1)\c1ccsc1
InChIInChI=1S/C11H9NS/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h1-9H/b12-8+
InChIKeyVECSMYUSNZRYDB-XYOKQWHBSA-N
MW187.27 g/mol
LogP3.50
Rot. Bonds2

About N-phenyl-1-thiophen-3-ylmethanimine

N-phenyl-1-thiophen-3-ylmethanimine (PubChem CID 15890129) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is N-phenyl-1-thiophen-3-ylmethanimine.

Molecular Properties

Compound NameN-phenyl-1-thiophen-3-ylmethanimine
PubChem CID15890129
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC NameN-phenyl-1-thiophen-3-ylmethanimine
SMILESC(=N/c1ccccc1)\c1ccsc1
InChIInChI=1S/C11H9NS/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h1-9H/b12-8+
InChIKeyVECSMYUSNZRYDB-XYOKQWHBSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-phenyl-1-thiophen-3-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 N-phenyl-1-thiophen-3-ylmethanimine?
The IUPAC name of N-phenyl-1-thiophen-3-ylmethanimine (CID 15890129) is N-phenyl-1-thiophen-3-ylmethanimine.
What is the SMILES notation for N-phenyl-1-thiophen-3-ylmethanimine?
The canonical SMILES for N-phenyl-1-thiophen-3-ylmethanimine is C(=N/c1ccccc1)\c1ccsc1.
What is the InChIKey of N-phenyl-1-thiophen-3-ylmethanimine?
The InChIKey is VECSMYUSNZRYDB-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H9NS/c1-2-4-11(5-3-1)12-8-10-6-7-13-9-10/h1-9H/b12-8+.
What are the key properties of N-phenyl-1-thiophen-3-ylmethanimine?
N-phenyl-1-thiophen-3-ylmethanimine has a molecular weight of 187.27 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-thiophen-3-ylmethanimine is sourced from PubChem (CID 15890129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).