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

C9H17NO2S — CID 130736766

IUPAC(2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
SMILESC[C@@H](O)C(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C9H17NO2S/c1-7(11)8(12)10-4-5-13-9(2,3)6-10/h7,11H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyUAOXOGAABLVBRT-SSDOTTSWSA-N
MW203.31 g/mol
LogP0.72
Rot. Bonds1

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

(2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one (PubChem CID 130736766) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is (2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
PubChem CID130736766
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name(2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
SMILESC[C@@H](O)C(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C9H17NO2S/c1-7(11)8(12)10-4-5-13-9(2,3)6-10/h7,11H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyUAOXOGAABLVBRT-SSDOTTSWSA-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

2-bromo-1-(2,2-dimethylthiomorpholin-4-yl)propan-1-one
CID 107905824
3-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylbutan-1-one;hydrochloride
CID 120501117
(2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one
CID 103797336
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylpropan-1-one
CID 107300674
1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride
CID 119791850
(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444442
4-(2,2-dimethylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 115910476
N-tert-butyl-2,2-dimethylthiomorpholine-4-carboxamide
CID 115695171
2,2-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thiomorpholine-4-carboxamide
CID 75377524
(3S)-3-[[(2,2-dimethylthiomorpholine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 104874826
(2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one
CID 130635624
(2S)-4-[(2,2-dimethylthiomorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 114007751

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one?
The IUPAC name of (2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one (CID 130736766) is (2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one is C[C@@H](O)C(=O)N1CCSC(C)(C)C1.
What is the InChIKey of (2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one?
The InChIKey is UAOXOGAABLVBRT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-7(11)8(12)10-4-5-13-9(2,3)6-10/h7,11H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one?
(2R)-1-(2,2-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 (2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 130736766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).