1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one

C11H21NO2S — CID 103709578

IUPAC1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
SMILESCCC1CN(C(=O)C(C)(C)OC)CCS1
InChIInChI=1S/C11H21NO2S/c1-5-9-8-12(6-7-15-9)10(13)11(2,3)14-4/h9H,5-8H2,1-4H3
InChIKeyGVJJHOMGPDMMDU-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.77
Rot. Bonds3

About 1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one

1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one (PubChem CID 103709578) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
PubChem CID103709578
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one
SMILESCCC1CN(C(=O)C(C)(C)OC)CCS1
InChIInChI=1S/C11H21NO2S/c1-5-9-8-12(6-7-15-9)10(13)11(2,3)14-4/h9H,5-8H2,1-4H3
InChIKeyGVJJHOMGPDMMDU-UHFFFAOYSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone
CID 103709580
3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one
CID 115734525
3-(2-ethylthiomorpholin-4-yl)-2-methyl-3-oxopropanoic acid
CID 114899063
(2S)-2-amino-1-(2-ethylthiomorpholin-4-yl)hexan-1-one
CID 103831798
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103021611
tert-butyl N-[2-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 109486935
2-methoxy-2-methyl-1-(1,4-thiazepan-4-yl)propan-1-one
CID 103652319
2-methoxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 103720323
methyl 3-[[C-(2-ethylthiomorpholin-4-yl)-N-methylcarbonimidoyl]amino]-2-methylpropanoate
CID 109484742
(2-aminocyclopentyl)-(2-ethylthiomorpholin-4-yl)methanone
CID 115740169
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
CID 103900310

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one (CID 103709578) is 1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one is CCC1CN(C(=O)C(C)(C)OC)CCS1.
What is the InChIKey of 1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is GVJJHOMGPDMMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-5-9-8-12(6-7-15-9)10(13)11(2,3)14-4/h9H,5-8H2,1-4H3.
What are the key properties of 1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one?
1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 231.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylthiomorpholin-4-yl)-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 103709578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).