1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone

C11H21NO3S — CID 103709580

IUPAC1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone
SMILESCCC1CN(C(=O)COCCOC)CCS1
InChIInChI=1S/C11H21NO3S/c1-3-10-8-12(4-7-16-10)11(13)9-15-6-5-14-2/h10H,3-9H2,1-2H3
InChIKeyJOZLTVNVNNJDJH-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.00
Rot. Bonds6

About 1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone

1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone (PubChem CID 103709580) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone
PubChem CID103709580
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone
SMILESCCC1CN(C(=O)COCCOC)CCS1
InChIInChI=1S/C11H21NO3S/c1-3-10-8-12(4-7-16-10)11(13)9-15-6-5-14-2/h10H,3-9H2,1-2H3
InChIKeyJOZLTVNVNNJDJH-UHFFFAOYSA-N
XLogP1.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601586
1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one
CID 115734525
2-ethyl-N-[3-(2-methoxyethoxy)propyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485939
1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
CID 103709578
1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone
CID 20583703
2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 105056363
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
2-ethyl-N-(3-methoxypropyl)-N'-methylthiomorpholine-4-carboximidamide
CID 109486222
1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 43355934
(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 81118783

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone (CID 103709580) is 1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone is CCC1CN(C(=O)COCCOC)CCS1.
What is the InChIKey of 1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone?
The InChIKey is JOZLTVNVNNJDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-3-10-8-12(4-7-16-10)11(13)9-15-6-5-14-2/h10H,3-9H2,1-2H3.
What are the key properties of 1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone?
1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone has a molecular weight of 247.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 103709580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).