1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone

C10H19NO2S — CID 64591722

IUPAC1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CC(C)SC(C)C1
InChIInChI=1S/C10H19NO2S/c1-4-13-7-10(12)11-5-8(2)14-9(3)6-11/h8-9H,4-7H2,1-3H3
InChIKeyXXTBUMWIQOCIJW-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.38
Rot. Bonds3

About 1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone

1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone (PubChem CID 64591722) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone
PubChem CID64591722
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CC(C)SC(C)C1
InChIInChI=1S/C10H19NO2S/c1-4-13-7-10(12)11-5-8(2)14-9(3)6-11/h8-9H,4-7H2,1-3H3
InChIKeyXXTBUMWIQOCIJW-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Cyclopropylmethoxy)-1-thiomorpholin-4-ylethanone
CID 51083009
1-(2,2-Dimethylmorpholin-4-yl)-2-(2-methoxyethylsulfanyl)ethanone
CID 45816513
1-(2,2-Dimethylmorpholin-4-yl)-2-methylsulfanylpropan-1-one
CID 45819888
N-cyclopropyl-N-methyl-2-(2-morpholin-4-ylethylsulfanyl)acetamide
CID 75435205
N-methyl-2-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-ylpropanamide
CID 84592447
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 51099485
1-Thiomorpholin-4-yl-2-(2,2,2-trifluoroethoxy)ethanone
CID 53519814
2-(Difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone
CID 126769533
1-(2-Ethylmorpholin-4-yl)-2-methylsulfanylpropan-1-one
CID 45819811
2-Ethoxy-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 56764609
2-Ethylsulfanyl-1-morpholin-4-ylethanone
CID 13539030
3-Butylsulfanyl-2-methyl-1-morpholin-4-ylpropan-1-one
CID 23534468

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone?
The IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone (CID 64591722) is 1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone is CCOCC(=O)N1CC(C)SC(C)C1.
What is the InChIKey of 1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone?
The InChIKey is XXTBUMWIQOCIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-4-13-7-10(12)11-5-8(2)14-9(3)6-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone?
1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone has a molecular weight of 217.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylthiomorpholin-4-yl)-2-ethoxyethanone is sourced from PubChem (CID 64591722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).