1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone

C10H19NO2S — CID 115634385

IUPAC1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCSC(C)C1C
InChIInChI=1S/C10H19NO2S/c1-4-13-7-10(12)11-5-6-14-9(3)8(11)2/h8-9H,4-7H2,1-3H3
InChIKeyHTPQAWVXNPXTFB-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.38
Rot. Bonds3

About 1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone

1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone (PubChem CID 115634385) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone
PubChem CID115634385
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCSC(C)C1C
InChIInChI=1S/C10H19NO2S/c1-4-13-7-10(12)11-5-6-14-9(3)8(11)2/h8-9H,4-7H2,1-3H3
InChIKeyHTPQAWVXNPXTFB-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

1-(2,3-dimethylthiomorpholin-4-yl)-2-propan-2-yloxyethanone
CID 115634381
1-(2,3-dimethylthiomorpholin-4-yl)-2-(ethylamino)ethanone
CID 115740145
3-(2,3-dimethylthiomorpholin-4-yl)-3-oxopropanenitrile
CID 104696946
N,N-diethyl-2,3-dimethylthiomorpholine-4-carboxamide
CID 115634669
2,3-dimethyl-N-propylthiomorpholine-4-carboxamide
CID 115635226
N-amino-N'-(3-ethoxypropyl)-2,3-dimethylthiomorpholine-4-carboximidamide
CID 104888829
ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate
CID 60737192
1-[(2R,3S)-2,3-dimethylthiomorpholin-4-yl]-3-thiophen-3-ylpropan-1-one
CID 95630068
(3S)-3-(aminomethyl)-1-(2,3-dimethylthiomorpholin-4-yl)-5-methylhexan-1-one
CID 104874517
2-[2-(2,3-dimethylthiomorpholin-4-yl)-2-oxoethyl]benzoic acid
CID 115923806
1-(2,3-dimethylthiomorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119791732
cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 71930717

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone?
The IUPAC name of 1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone (CID 115634385) is 1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone is CCOCC(=O)N1CCSC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone?
The InChIKey is HTPQAWVXNPXTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-4-13-7-10(12)11-5-6-14-9(3)8(11)2/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone?
1-(2,3-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-(2,3-dimethylthiomorpholin-4-yl)-2-ethoxyethanone is sourced from PubChem (CID 115634385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).