3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile

C12H14N2O2S — CID 82119303

IUPAC3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile
SMILESN#CC(Cc1cccs1)C(=O)N1CCOCC1
InChIInChI=1S/C12H14N2O2S/c13-9-10(8-11-2-1-7-17-11)12(15)14-3-5-16-6-4-14/h1-2,7,10H,3-6,8H2
InChIKeyXQZMEVQQIKNDGN-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.29
Rot. Bonds3

About 3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile

3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile (PubChem CID 82119303) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile.

Molecular Properties

Compound Name3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile
PubChem CID82119303
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile
SMILESN#CC(Cc1cccs1)C(=O)N1CCOCC1
InChIInChI=1S/C12H14N2O2S/c13-9-10(8-11-2-1-7-17-11)12(15)14-3-5-16-6-4-14/h1-2,7,10H,3-6,8H2
InChIKeyXQZMEVQQIKNDGN-UHFFFAOYSA-N
XLogP1.29
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile
CID 82118256
N-[(2S)-1-[[(1S)-1-cyano-2-thiophen-2-ylethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 90844724
2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone
CID 62225934
2-amino-1-(4-methylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 69185144
N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 9117695
3,3-dimethyl-1-morpholin-4-yl-5-thiophen-2-ylpentan-1-one
CID 131720366
1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 110740009
(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
CID 17446175
2-amino-3-[6-bromo-3-(thiophen-2-ylmethylamino)thieno[3,2-c][1,2]thiazol-5-yl]-1-morpholin-4-ylpropan-1-one
CID 170316502
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 93368060
3-(1,4-oxazepan-4-yl)-3-oxo-2-phenylpropanenitrile
CID 55154093
4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one
CID 82120337

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile?
The IUPAC name of 3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile (CID 82119303) is 3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile.
What is the SMILES notation for 3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile?
The canonical SMILES for 3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile is N#CC(Cc1cccs1)C(=O)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile?
The InChIKey is XQZMEVQQIKNDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c13-9-10(8-11-2-1-7-17-11)12(15)14-3-5-16-6-4-14/h1-2,7,10H,3-6,8H2.
What are the key properties of 3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile?
3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile has a molecular weight of 250.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-3-oxo-2-(thiophen-2-ylmethyl)propanenitrile is sourced from PubChem (CID 82119303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).