3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one

C11H15NO2S — CID 3022657

IUPAC3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1cccs1
InChIInChI=1S/C11H15NO2S/c13-10(11-2-1-9-15-11)3-4-12-5-7-14-8-6-12/h1-2,9H,3-8H2
InChIKeyNIBBZUCSEIXLBU-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.65
Rot. Bonds4

About 3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one

3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one (PubChem CID 3022657) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one
PubChem CID3022657
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1cccs1
InChIInChI=1S/C11H15NO2S/c13-10(11-2-1-9-15-11)3-4-12-5-7-14-8-6-12/h1-2,9H,3-8H2
InChIKeyNIBBZUCSEIXLBU-UHFFFAOYSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-morpholin-4-yl-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-morpholin-4-yl-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one (CID 3022657) is 3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one is O=C(CCN1CCOCC1)c1cccs1.
What is the InChIKey of 3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one?
The InChIKey is NIBBZUCSEIXLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-10(11-2-1-9-15-11)3-4-12-5-7-14-8-6-12/h1-2,9H,3-8H2.
What are the key properties of 3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one?
3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one has a molecular weight of 225.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 3022657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).