2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone

C14H21NO2S — CID 60680325

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCCC1COC(C)CN1CC(=O)c1ccc(C)s1
InChIInChI=1S/C14H21NO2S/c1-4-12-9-17-10(2)7-15(12)8-13(16)14-6-5-11(3)18-14/h5-6,10,12H,4,7-9H2,1-3H3
InChIKeyWQXDYBOPPLHRNO-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.74
Rot. Bonds4

About 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone

2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 60680325) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID60680325
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCCC1COC(C)CN1CC(=O)c1ccc(C)s1
InChIInChI=1S/C14H21NO2S/c1-4-12-9-17-10(2)7-15(12)8-13(16)14-6-5-11(3)18-14/h5-6,10,12H,4,7-9H2,1-3H3
InChIKeyWQXDYBOPPLHRNO-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone (CID 60680325) is 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone is CCC1COC(C)CN1CC(=O)c1ccc(C)s1.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is WQXDYBOPPLHRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-12-9-17-10(2)7-15(12)8-13(16)14-6-5-11(3)18-14/h5-6,10,12H,4,7-9H2,1-3H3.
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone?
2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 267.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 60680325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).