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

C11H15NO2S — CID 130963896

IUPAC2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)c1ccsc1)C1COCCN1
InChIInChI=1S/C11H15NO2S/c1-8(10-6-14-4-3-12-10)11(13)9-2-5-15-7-9/h2,5,7-8,10,12H,3-4,6H2,1H3
InChIKeyUXEBHBSPKFYLGN-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.56
Rot. Bonds3

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

2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one (PubChem CID 130963896) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one
PubChem CID130963896
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)c1ccsc1)C1COCCN1
InChIInChI=1S/C11H15NO2S/c1-8(10-6-14-4-3-12-10)11(13)9-2-5-15-7-9/h2,5,7-8,10,12H,3-4,6H2,1H3
InChIKeyUXEBHBSPKFYLGN-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-thiophen-3-ylmorpholine
CID 54298164
3-amino-2-methyl-1-thiophen-3-ylpropan-1-one
CID 116564427
N,N-di(propan-2-yl)thiophene-3-carboxamide
CID 50896326
oxan-4-yl(thiophen-3-yl)methanone
CID 18994237
(2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone
CID 116592037
N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide
CID 138021648
2-bromo-1-thiophen-3-ylbutan-1-one
CID 59598618
(2S)-2-amino-1-thiophen-3-ylbutan-1-one
CID 165468117
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171
[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone
CID 116919590
[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 71785831
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-3-ylacetamide
CID 81349518

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one?
The IUPAC name of 2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one (CID 130963896) is 2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one?
The canonical SMILES for 2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one is CC(C(=O)c1ccsc1)C1COCCN1.
What is the InChIKey of 2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one?
The InChIKey is UXEBHBSPKFYLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8(10-6-14-4-3-12-10)11(13)9-2-5-15-7-9/h2,5,7-8,10,12H,3-4,6H2,1H3.
What are the key properties of 2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one?
2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one has a molecular weight of 225.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-3-yl-1-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 130963896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).