3-(3-ethylsulfonylpropyl)-4-methylpiperidine

C11H23NO2S — CID 106779394

IUPAC3-(3-ethylsulfonylpropyl)-4-methylpiperidine
SMILESCCS(=O)(=O)CCCC1CNCCC1C
InChIInChI=1S/C11H23NO2S/c1-3-15(13,14)8-4-5-11-9-12-7-6-10(11)2/h10-12H,3-9H2,1-2H3
InChIKeyPBDHNDNXSAKITK-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.45
Rot. Bonds5

About 3-(3-ethylsulfonylpropyl)-4-methylpiperidine

3-(3-ethylsulfonylpropyl)-4-methylpiperidine (PubChem CID 106779394) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-(3-ethylsulfonylpropyl)-4-methylpiperidine.

Molecular Properties

Compound Name3-(3-ethylsulfonylpropyl)-4-methylpiperidine
PubChem CID106779394
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name3-(3-ethylsulfonylpropyl)-4-methylpiperidine
SMILESCCS(=O)(=O)CCCC1CNCCC1C
InChIInChI=1S/C11H23NO2S/c1-3-15(13,14)8-4-5-11-9-12-7-6-10(11)2/h10-12H,3-9H2,1-2H3
InChIKeyPBDHNDNXSAKITK-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide
CID 114955853
[(3R,4S)-4-methylpiperidin-3-yl]methanol
CID 124538044
5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one
CID 116583438
3-(ethoxymethyl)-4-methylpiperidine
CID 106780348
1-bromo-2-(3-ethylsulfonylpropyl)cyclopentane
CID 65095933
1-cyclohexyl-N-[(4-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 114955890
4-ethyl-2-(3-ethylsulfonylpropyl)cyclohexane-1-carboxylic acid
CID 81021131
3-(3-ethylsulfonylpropyl)-2-methyl-N-propylcyclopentan-1-amine
CID 65096786
3-(2,2-dimethylpropyl)-4-methylpiperidine
CID 164775462
N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide
CID 114955845
N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955720
3-(cyclobutylmethyl)-4-methylpiperidine
CID 106779274

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylpropyl)-4-methylpiperidine?
The IUPAC name of 3-(3-ethylsulfonylpropyl)-4-methylpiperidine (CID 106779394) is 3-(3-ethylsulfonylpropyl)-4-methylpiperidine.
What is the SMILES notation for 3-(3-ethylsulfonylpropyl)-4-methylpiperidine?
The canonical SMILES for 3-(3-ethylsulfonylpropyl)-4-methylpiperidine is CCS(=O)(=O)CCCC1CNCCC1C.
What is the InChIKey of 3-(3-ethylsulfonylpropyl)-4-methylpiperidine?
The InChIKey is PBDHNDNXSAKITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-15(13,14)8-4-5-11-9-12-7-6-10(11)2/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-(3-ethylsulfonylpropyl)-4-methylpiperidine?
3-(3-ethylsulfonylpropyl)-4-methylpiperidine has a molecular weight of 233.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonylpropyl)-4-methylpiperidine is sourced from PubChem (CID 106779394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).