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

C8H15NO2S — CID 130688632

IUPAC1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone
SMILESCC1(C)CSCCN1C(=O)CO
InChIInChI=1S/C8H15NO2S/c1-8(2)6-12-4-3-9(8)7(11)5-10/h10H,3-6H2,1-2H3
InChIKeyGIXSVCMNWCRNTG-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.33
Rot. Bonds1

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

1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone (PubChem CID 130688632) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone
PubChem CID130688632
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone
SMILESCC1(C)CSCCN1C(=O)CO
InChIInChI=1S/C8H15NO2S/c1-8(2)6-12-4-3-9(8)7(11)5-10/h10H,3-6H2,1-2H3
InChIKeyGIXSVCMNWCRNTG-UHFFFAOYSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dihydroxythiomorpholine-4-carboxylic acid
CID 66980846
3,3-dimethyl-4-propylthiomorpholine
CID 130685619
3,3-dimethyl-4-methylsulfonylthiomorpholine
CID 130677346
bis(3-methyl-3-phenylthiomorpholin-4-yl)methanone
CID 141144593
(3,3-dimethylthiomorpholin-4-yl)methyl-trimethylsilane
CID 127013251
(3-ethylthiolan-3-yl)methanol
CID 146230443
3,3-dimethyl-4-propan-2-ylthiomorpholine
CID 130717092
1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 130734788
1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone
CID 110192132
3-methyl-1-(2,2,4-trimethylpiperazin-1-yl)butan-1-one
CID 127707871
N-(cyanomethyl)-N-(3,3-dimethylthiomorpholin-4-yl)nitrous amide
CID 22363312
(1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone
CID 130683901

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone?
The IUPAC name of 1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone (CID 130688632) is 1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone is CC1(C)CSCCN1C(=O)CO.
What is the InChIKey of 1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone?
The InChIKey is GIXSVCMNWCRNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-8(2)6-12-4-3-9(8)7(11)5-10/h10H,3-6H2,1-2H3.
What are the key properties of 1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone?
1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone has a molecular weight of 189.28 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylthiomorpholin-4-yl)-2-hydroxyethanone is sourced from PubChem (CID 130688632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).