4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine

C12H25NO2S — CID 20811833

IUPAC4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine
SMILESCC(C)CC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-11(2)10-12-4-6-13(7-5-12)8-9-16(3,14)15/h11-12H,4-10H2,1-3H3
InChIKeyMOWBKNUQEWEHMS-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.79
Rot. Bonds5

About 4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine

4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine (PubChem CID 20811833) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine
PubChem CID20811833
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine
SMILESCC(C)CC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO2S/c1-11(2)10-12-4-6-13(7-5-12)8-9-16(3,14)15/h11-12H,4-10H2,1-3H3
InChIKeyMOWBKNUQEWEHMS-UHFFFAOYSA-N
XLogP1.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide
CID 3832716
3-(2-Methylsulfonylethyl)-3-azabicyclo[3.3.1]nonane
CID 264819
1-cyclohexyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
CID 60295792
4-(2-Methylsulfonylethyl)-1-thia-4-azaspiro[5.5]undecane
CID 71976335
1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
1-(2,4-Dimethylpentyl)-4-(2-methylsulfonylethyl)piperazine
CID 121521066
2-(4-Methylpiperidin-1-yl)ethanesulfonyl fluoride
CID 126755742
2-(4-Propylpiperidin-1-yl)ethanesulfonyl fluoride
CID 138600562
2-(4-Propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride
CID 138659398
3-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide
CID 178125875
1-Ethylsulfonyl-3-methylpiperidine
CID 303056
1-Ethylsulfonyl-4-methylpiperidine
CID 303058

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine?
The IUPAC name of 4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine (CID 20811833) is 4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine.
What is the SMILES notation for 4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine?
The canonical SMILES for 4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine is CC(C)CC1CCN(CCS(C)(=O)=O)CC1.
What is the InChIKey of 4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine?
The InChIKey is MOWBKNUQEWEHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-11(2)10-12-4-6-13(7-5-12)8-9-16(3,14)15/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine?
4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine has a molecular weight of 247.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperidine is sourced from PubChem (CID 20811833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).