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

C10H19NOS — CID 64593407

IUPAC1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one
SMILESCC1CN(C(=O)C(C)C)CC(C)S1
InChIInChI=1S/C10H19NOS/c1-7(2)10(12)11-5-8(3)13-9(4)6-11/h7-9H,5-6H2,1-4H3
InChIKeySXFKKGDMLPYTHO-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.99
Rot. Bonds1

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

1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one (PubChem CID 64593407) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one
PubChem CID64593407
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one
SMILESCC1CN(C(=O)C(C)C)CC(C)S1
InChIInChI=1S/C10H19NOS/c1-7(2)10(12)11-5-8(3)13-9(4)6-11/h7-9H,5-6H2,1-4H3
InChIKeySXFKKGDMLPYTHO-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
CID 130626316
(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
CID 107569802
1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one
CID 89177757
1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 131131296
2-(aminomethyl)-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
CID 65228076
1-(3-hydroxy-5-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 130871830
1-[(3aR,6aS)-2-methanidyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one
CID 59704533
(6R)-6-methyl-4-(2-methylpropanoyl)morpholine-2-carboxylic acid
CID 103932864
2-methyl-1-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 58912894
2-(2,6-dimethylthiomorpholin-4-yl)cyclobutane-1-carboxylic acid
CID 80997480
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 100963844
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one (CID 64593407) is 1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one is CC1CN(C(=O)C(C)C)CC(C)S1.
What is the InChIKey of 1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one?
The InChIKey is SXFKKGDMLPYTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-7(2)10(12)11-5-8(3)13-9(4)6-11/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one?
1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one has a molecular weight of 201.33 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 64593407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).