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

C9H19NO2S — CID 20752926

IUPAC4-methyl-1-(2-methylsulfonylethyl)piperidine
SMILESCC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S/c1-9-3-5-10(6-4-9)7-8-13(2,11)12/h9H,3-8H2,1-2H3
InChIKeyVEPPTNCJRZVUST-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.76
Rot. Bonds3

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

4-methyl-1-(2-methylsulfonylethyl)piperidine (PubChem CID 20752926) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 4-methyl-1-(2-methylsulfonylethyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(2-methylsulfonylethyl)piperidine
PubChem CID20752926
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name4-methyl-1-(2-methylsulfonylethyl)piperidine
SMILESCC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S/c1-9-3-5-10(6-4-9)7-8-13(2,11)12/h9H,3-8H2,1-2H3
InChIKeyVEPPTNCJRZVUST-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

piperidinium, 1-methyl-1-(3-sulfopropyl)-, inner salt
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1-[(1-Ethylsulfonylpiperidin-4-yl)methyl]-4-methylpiperidine
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2-[1-(3,3-dimethylbutylsulfonyl)piperidin-4-yl]-N,N-dimethylethanamine
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1-(2-Methylbutyl)-4-(2-methylsulfonylethyl)piperazine
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1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
1-(2,4-Dimethylpentyl)-4-(2-methylsulfonylethyl)piperazine
CID 121521066
4-[2-(Methylsulfonyl)ethyl]piperidine
CID 59452715
2-(4-Methylpiperidin-1-yl)ethanesulfonyl fluoride
CID 126755742
1-Ethylsulfonyl-4-fluoro-4-methylpiperidine
CID 134322141
2-(4-Propylpiperidin-1-yl)ethanesulfonyl fluoride
CID 138600562
2-(4-Propan-2-ylpiperidin-1-yl)ethanesulfonyl fluoride
CID 138659398

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylsulfonylethyl)piperidine?
The IUPAC name of 4-methyl-1-(2-methylsulfonylethyl)piperidine (CID 20752926) is 4-methyl-1-(2-methylsulfonylethyl)piperidine.
What is the SMILES notation for 4-methyl-1-(2-methylsulfonylethyl)piperidine?
The canonical SMILES for 4-methyl-1-(2-methylsulfonylethyl)piperidine is CC1CCN(CCS(C)(=O)=O)CC1.
What is the InChIKey of 4-methyl-1-(2-methylsulfonylethyl)piperidine?
The InChIKey is VEPPTNCJRZVUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9-3-5-10(6-4-9)7-8-13(2,11)12/h9H,3-8H2,1-2H3.
What are the key properties of 4-methyl-1-(2-methylsulfonylethyl)piperidine?
4-methyl-1-(2-methylsulfonylethyl)piperidine has a molecular weight of 205.32 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylsulfonylethyl)piperidine is sourced from PubChem (CID 20752926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).