N-propan-2-yl-1-thiophen-2-ylethanimine

C9H13NS — CID 11252222

IUPACN-propan-2-yl-1-thiophen-2-ylethanimine
SMILESC/C(=N\C(C)C)c1cccs1
InChIInChI=1S/C9H13NS/c1-7(2)10-8(3)9-5-4-6-11-9/h4-7H,1-3H3/b10-8+
InChIKeyFTWYZQIDSOIZGY-CSKARUKUSA-N
MW167.28 g/mol
LogP2.97
Rot. Bonds2

About N-propan-2-yl-1-thiophen-2-ylethanimine

N-propan-2-yl-1-thiophen-2-ylethanimine (PubChem CID 11252222) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N-propan-2-yl-1-thiophen-2-ylethanimine.

Molecular Properties

Compound NameN-propan-2-yl-1-thiophen-2-ylethanimine
PubChem CID11252222
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN-propan-2-yl-1-thiophen-2-ylethanimine
SMILESC/C(=N\C(C)C)c1cccs1
InChIInChI=1S/C9H13NS/c1-7(2)10-8(3)9-5-4-6-11-9/h4-7H,1-3H3/b10-8+
InChIKeyFTWYZQIDSOIZGY-CSKARUKUSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-1-thiophen-2-ylethanimine 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-propan-2-yl-1-thiophen-2-ylethanimine?
The IUPAC name of N-propan-2-yl-1-thiophen-2-ylethanimine (CID 11252222) is N-propan-2-yl-1-thiophen-2-ylethanimine.
What is the SMILES notation for N-propan-2-yl-1-thiophen-2-ylethanimine?
The canonical SMILES for N-propan-2-yl-1-thiophen-2-ylethanimine is C/C(=N\C(C)C)c1cccs1.
What is the InChIKey of N-propan-2-yl-1-thiophen-2-ylethanimine?
The InChIKey is FTWYZQIDSOIZGY-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13NS/c1-7(2)10-8(3)9-5-4-6-11-9/h4-7H,1-3H3/b10-8+.
What are the key properties of N-propan-2-yl-1-thiophen-2-ylethanimine?
N-propan-2-yl-1-thiophen-2-ylethanimine has a molecular weight of 167.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-thiophen-2-ylethanimine is sourced from PubChem (CID 11252222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).