2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone

C8H15NO2S — CID 103595353

IUPAC2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone
SMILESCOCC(=O)C1CSCCN1C
InChIInChI=1S/C8H15NO2S/c1-9-3-4-12-6-7(9)8(10)5-11-2/h7H,3-6H2,1-2H3
InChIKeyVMCNUKNPLJKZEQ-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.25
Rot. Bonds3

About 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone

2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone (PubChem CID 103595353) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone
PubChem CID103595353
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone
SMILESCOCC(=O)C1CSCCN1C
InChIInChI=1S/C8H15NO2S/c1-9-3-4-12-6-7(9)8(10)5-11-2/h7H,3-6H2,1-2H3
InChIKeyVMCNUKNPLJKZEQ-UHFFFAOYSA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-one
CID 103595307
3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one
CID 103595186
2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone
CID 164660138
1-(4-methylthiomorpholin-3-yl)hex-5-yn-1-one
CID 103595438
1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 103595309
4-[2-(2-methoxyethoxy)ethyl]thiomorpholine-3-carboxylic acid
CID 82909368
1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 103595434
4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid
CID 82900985
2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone
CID 103595311
1-(4-methylthiomorpholin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 103595167
(3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone
CID 103595172
1-(4-methylthiomorpholin-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 103595383

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone?
The IUPAC name of 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone (CID 103595353) is 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone is COCC(=O)C1CSCCN1C.
What is the InChIKey of 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone?
The InChIKey is VMCNUKNPLJKZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-9-3-4-12-6-7(9)8(10)5-11-2/h7H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone?
2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone has a molecular weight of 189.28 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone is sourced from PubChem (CID 103595353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).