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

C15H23NO2S — CID 60680300

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN2CC(C)OCC2CC)s1
InChIInChI=1S/C15H23NO2S/c1-4-12-10-18-11(3)8-16(12)9-14(17)15-7-6-13(5-2)19-15/h6-7,11-12H,4-5,8-10H2,1-3H3
InChIKeyNWBMJNIIMUUCSS-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.99
Rot. Bonds5

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

2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 60680300) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID60680300
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN2CC(C)OCC2CC)s1
InChIInChI=1S/C15H23NO2S/c1-4-12-10-18-11(3)8-16(12)9-14(17)15-7-6-13(5-2)19-15/h6-7,11-12H,4-5,8-10H2,1-3H3
InChIKeyNWBMJNIIMUUCSS-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.99
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-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-ethylthiophen-2-yl)ethanone (CID 60680300) is 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CN2CC(C)OCC2CC)s1.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is NWBMJNIIMUUCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-12-10-18-11(3)8-16(12)9-14(17)15-7-6-13(5-2)19-15/h6-7,11-12H,4-5,8-10H2,1-3H3.
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-ethylthiophen-2-yl)ethanone?
2-(5-ethyl-2-methylmorpholin-4-yl)-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 281.42 g/mol, XLogP of 2.99, 5 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-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 60680300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).