2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine

C13H26N2O2S — CID 62331848

IUPAC2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)CC2CCCNC2)C(C)C1
InChIInChI=1S/C13H26N2O2S/c1-11-5-7-15(12(2)8-11)18(16,17)10-13-4-3-6-14-9-13/h11-14H,3-10H2,1-2H3
InChIKeyMBMZSXCLHYKPSJ-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.44
Rot. Bonds3

About 2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine

2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine (PubChem CID 62331848) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
PubChem CID62331848
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)CC2CCCNC2)C(C)C1
InChIInChI=1S/C13H26N2O2S/c1-11-5-7-15(12(2)8-11)18(16,17)10-13-4-3-6-14-9-13/h11-14H,3-10H2,1-2H3
InChIKeyMBMZSXCLHYKPSJ-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride
CID 120717011
1-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320272
3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one
CID 55216931
4-(piperidin-3-ylmethylsulfonyl)-1,4-thiazepane
CID 54972395
4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 62085436
2,4-dimethyl-1-piperidin-4-ylsulfonylpiperidine
CID 62332373
8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769472
3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine
CID 103535343
1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199542
1-[4-methyl-1-(piperidin-3-ylmethyl)piperidin-2-yl]ethanol
CID 120849928
4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid
CID 115867385
(2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81139161

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine?
The IUPAC name of 2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine (CID 62331848) is 2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine?
The canonical SMILES for 2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine is CC1CCN(S(=O)(=O)CC2CCCNC2)C(C)C1.
What is the InChIKey of 2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine?
The InChIKey is MBMZSXCLHYKPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-11-5-7-15(12(2)8-11)18(16,17)10-13-4-3-6-14-9-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine?
2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine has a molecular weight of 274.43 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 62331848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).