3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one

C14H15NO2S2 — CID 141330596

IUPAC3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCNCCC(=O)c1cccs1)c1cccs1
InChIInChI=1S/C14H15NO2S2/c16-11(13-3-1-9-18-13)5-7-15-8-6-12(17)14-4-2-10-19-14/h1-4,9-10,15H,5-8H2
InChIKeyTWJWNTZFGQYHRT-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.24
Rot. Bonds8

About 3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one

3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one (PubChem CID 141330596) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one
PubChem CID141330596
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Name3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCNCCC(=O)c1cccs1)c1cccs1
InChIInChI=1S/C14H15NO2S2/c16-11(13-3-1-9-18-13)5-7-15-8-6-12(17)14-4-2-10-19-14/h1-4,9-10,15H,5-8H2
InChIKeyTWJWNTZFGQYHRT-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one 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-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one (CID 141330596) is 3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one is O=C(CCNCCC(=O)c1cccs1)c1cccs1.
What is the InChIKey of 3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one?
The InChIKey is TWJWNTZFGQYHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c16-11(13-3-1-9-18-13)5-7-15-8-6-12(17)14-4-2-10-19-14/h1-4,9-10,15H,5-8H2.
What are the key properties of 3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one?
3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one has a molecular weight of 293.41 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxo-3-thiophen-2-ylpropyl)amino]-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 141330596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).