1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone

C12H23NO5S2 — CID 71878209

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone
SMILESCC1CCCC(C)N1C(=O)CS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C12H23NO5S2/c1-10-5-4-6-11(2)13(10)12(14)9-20(17,18)8-7-19(3,15)16/h10-11H,4-9H2,1-3H3
InChIKeyFLBWVARQEVSKHL-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.24
Rot. Bonds5

About 1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone (PubChem CID 71878209) has the molecular formula C12H23NO5S2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone
PubChem CID71878209
Molecular FormulaC12H23NO5S2
Molecular Weight325.45 g/mol
Exact Mass325.10
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone
SMILESCC1CCCC(C)N1C(=O)CS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C12H23NO5S2/c1-10-5-4-6-11(2)13(10)12(14)9-20(17,18)8-7-19(3,15)16/h10-11H,4-9H2,1-3H3
InChIKeyFLBWVARQEVSKHL-UHFFFAOYSA-N
XLogP0.24
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Cyclopentylsulfonyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 51081804
2-But-2-enylsulfonyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 76865491
N,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide
CID 78877087
4-Tert-butylsulfanyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 86780939
(2S)-N-cyclohexyl-2-(2-methoxyethylsulfonyl)-N-methylpropanamide
CID 96134432
2-(2,6-Dimethylpiperidin-1-yl)-1-fluoro-2-oxoethanesulfonic acid
CID 90268257
2-(1-Acetylpiperidin-2-yl)ethane-1-sulfonyl fluoride
CID 165453303
4-Dodecyl-1lambda~4~,4-thiazinane-1,3-dione
CID 15015343
2-Methylsulfonyl-1-piperidin-1-ylpropan-1-one
CID 53525065
2-Methylsulfonyl-1-piperidin-1-ylethanone
CID 60768426
1-[(2R,3S)-2-methylsulfonylhexan-3-yl]piperidin-2-one
CID 89481234
1-(1,1-Dioxo-1,4-thiazinan-4-yl)ethanone;1-piperidin-1-ylethanone
CID 91336310

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone (CID 71878209) is 1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone is CC1CCCC(C)N1C(=O)CS(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone?
The InChIKey is FLBWVARQEVSKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S2/c1-10-5-4-6-11(2)13(10)12(14)9-20(17,18)8-7-19(3,15)16/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone has a molecular weight of 325.45 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-(2-methylsulfonylethylsulfonyl)ethanone is sourced from PubChem (CID 71878209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).