2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one

C14H26N2O3S2 — CID 83200054

IUPAC2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCSCC1S(C)(=O)=O)C1CCCNC1
InChIInChI=1S/C14H26N2O3S2/c1-14(2,11-5-4-6-15-9-11)13(17)16-7-8-20-10-12(16)21(3,18)19/h11-12,15H,4-10H2,1-3H3
InChIKeyLYAVDKLGMJREMA-UHFFFAOYSA-N
MW334.51 g/mol
LogP0.96
Rot. Bonds3

About 2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one

2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one (PubChem CID 83200054) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one
PubChem CID83200054
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC Name2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCSCC1S(C)(=O)=O)C1CCCNC1
InChIInChI=1S/C14H26N2O3S2/c1-14(2,11-5-4-6-15-9-11)13(17)16-7-8-20-10-12(16)21(3,18)19/h11-12,15H,4-10H2,1-3H3
InChIKeyLYAVDKLGMJREMA-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
CID 83031141
1-(1,4-diazepan-1-yl)-2-(3-methylsulfonylthiomorpholin-4-yl)ethane-1,2-dione
CID 66381725
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 102726190
3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102780306
2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one
CID 113345683
2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 83200263
2-methyl-2-(3-methylsulfonylthiomorpholine-4-carbonyl)butanethioamide
CID 114292395
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83199895
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83198699
1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83032479
N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide
CID 116656564
1-(3-methylsulfonylthiomorpholin-4-yl)-2-sulfanylethanone
CID 66382518

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one (CID 83200054) is 2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one is CC(C)(C(=O)N1CCSCC1S(C)(=O)=O)C1CCCNC1.
What is the InChIKey of 2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one?
The InChIKey is LYAVDKLGMJREMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c1-14(2,11-5-4-6-15-9-11)13(17)16-7-8-20-10-12(16)21(3,18)19/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one?
2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one has a molecular weight of 334.51 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 83200054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).