1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one

C13H19NO2S — CID 79665999

IUPAC1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one
SMILESCCN1CCOC(C(=O)CCc2ccsc2)C1
InChIInChI=1S/C13H19NO2S/c1-2-14-6-7-16-13(9-14)12(15)4-3-11-5-8-17-10-11/h5,8,10,13H,2-4,6-7,9H2,1H3
InChIKeyVMTXGMMHNNVDDS-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.97
Rot. Bonds5

About 1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one

1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one (PubChem CID 79665999) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one
PubChem CID79665999
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one
SMILESCCN1CCOC(C(=O)CCc2ccsc2)C1
InChIInChI=1S/C13H19NO2S/c1-2-14-6-7-16-13(9-14)12(15)4-3-11-5-8-17-10-11/h5,8,10,13H,2-4,6-7,9H2,1H3
InChIKeyVMTXGMMHNNVDDS-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone
CID 79078299
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250
methyl 2-[4-(2-thiophen-3-ylethyl)morpholin-2-yl]acetate
CID 79822869
1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one
CID 79666251
1-(4-ethylmorpholin-2-yl)-2-thiophen-3-ylethanamine
CID 79667283
3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
CID 79664689
1-(4-methylmorpholin-2-yl)-3-phenylpropan-1-one
CID 79077304
1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 79666582
4-ethylmorpholine-2-carboxylate
CID 127053688
2-(2-chloro-4-methylphenyl)-1-(4-ethylmorpholin-2-yl)ethanone
CID 106867039
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347306

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one (CID 79665999) is 1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one is CCN1CCOC(C(=O)CCc2ccsc2)C1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is VMTXGMMHNNVDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-14-6-7-16-13(9-14)12(15)4-3-11-5-8-17-10-11/h5,8,10,13H,2-4,6-7,9H2,1H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one?
1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 253.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 79665999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).