1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one

C9H17NO2S — CID 130626316

IUPAC1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
SMILESCC1CN(C(=O)C(C)O)CC(C)S1
InChIInChI=1S/C9H17NO2S/c1-6-4-10(5-7(2)13-6)9(12)8(3)11/h6-8,11H,4-5H2,1-3H3
InChIKeyWSABORANKOBIPB-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.72
Rot. Bonds1

About 1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one

1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one (PubChem CID 130626316) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
PubChem CID130626316
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
SMILESCC1CN(C(=O)C(C)O)CC(C)S1
InChIInChI=1S/C9H17NO2S/c1-6-4-10(5-7(2)13-6)9(12)8(3)11/h6-8,11H,4-5H2,1-3H3
InChIKeyWSABORANKOBIPB-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 64593407
(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
CID 107569802
2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
CID 65228076
2-hydroxy-1-(3-propan-2-yloxyazetidin-1-yl)propan-1-one
CID 77445876
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
(2R)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905205
(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)-4-phenylbutan-1-one
CID 104984443
2-chloro-N-[1-(2,6-dimethylthiomorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 154740475
1-(2,6-dimethylthiomorpholin-4-yl)-5-hydroxypentan-1-one
CID 79209382
3-amino-1-(2,6-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-one
CID 81489730
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one?
The IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one (CID 130626316) is 1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one?
The canonical SMILES for 1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one is CC1CN(C(=O)C(C)O)CC(C)S1.
What is the InChIKey of 1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one?
The InChIKey is WSABORANKOBIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-6-4-10(5-7(2)13-6)9(12)8(3)11/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one?
1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one has a molecular weight of 203.31 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 130626316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).