1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one

C15H28N2OS — CID 83032479

IUPAC1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC1CN(C(=O)C(C)(C)C2CCCNC2)CC(C)S1
InChIInChI=1S/C15H28N2OS/c1-11-9-17(10-12(2)19-11)14(18)15(3,4)13-6-5-7-16-8-13/h11-13,16H,5-10H2,1-4H3
InChIKeyUOEJHVHDLUFEDL-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.36
Rot. Bonds2

About 1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one

1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one (PubChem CID 83032479) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
PubChem CID83032479
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC1CN(C(=O)C(C)(C)C2CCCNC2)CC(C)S1
InChIInChI=1S/C15H28N2OS/c1-11-9-17(10-12(2)19-11)14(18)15(3,4)13-6-5-7-16-8-13/h11-13,16H,5-10H2,1-4H3
InChIKeyUOEJHVHDLUFEDL-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one
CID 113345683
2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
CID 83031141
1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 107219375
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 112625086
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114797524
1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 103884985
3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid
CID 83199346
1-(2,5-dimethylmorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83199879
2-[4-(2-methyl-2-piperidin-3-ylpropanoyl)morpholin-2-yl]acetic acid
CID 83200057
3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102780306
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83199167
(2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83199631

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one (CID 83032479) is 1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one is CC1CN(C(=O)C(C)(C)C2CCCNC2)CC(C)S1.
What is the InChIKey of 1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The InChIKey is UOEJHVHDLUFEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-11-9-17(10-12(2)19-11)14(18)15(3,4)13-6-5-7-16-8-13/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one?
1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one has a molecular weight of 284.47 g/mol, XLogP of 2.36, 2 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-methyl-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 83032479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).