2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone

C14H21NO2S2 — CID 82052467

IUPAC2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone
SMILESCCSc1ccc(C(=O)CN2CC(C)OC(C)C2)s1
InChIInChI=1S/C14H21NO2S2/c1-4-18-14-6-5-13(19-14)12(16)9-15-7-10(2)17-11(3)8-15/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeyAYVPIRYKEKQWIN-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.15
Rot. Bonds5

About 2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone

2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone (PubChem CID 82052467) has the molecular formula C14H21NO2S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone
PubChem CID82052467
Molecular FormulaC14H21NO2S2
Molecular Weight299.46 g/mol
Exact Mass299.10
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone
SMILESCCSc1ccc(C(=O)CN2CC(C)OC(C)C2)s1
InChIInChI=1S/C14H21NO2S2/c1-4-18-14-6-5-13(19-14)12(16)9-15-7-10(2)17-11(3)8-15/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeyAYVPIRYKEKQWIN-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone (CID 82052467) is 2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone is CCSc1ccc(C(=O)CN2CC(C)OC(C)C2)s1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone?
The InChIKey is AYVPIRYKEKQWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S2/c1-4-18-14-6-5-13(19-14)12(16)9-15-7-10(2)17-11(3)8-15/h5-6,10-11H,4,7-9H2,1-3H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone?
2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone has a molecular weight of 299.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-1-(5-ethylsulfanylthiophen-2-yl)ethanone is sourced from PubChem (CID 82052467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).