1-(2-ethylsulfonylethyl)piperidine

C9H19NO2S — CID 3104333

IUPAC1-(2-ethylsulfonylethyl)piperidine
SMILESCCS(=O)(=O)CCN1CCCCC1
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)9-8-10-6-4-3-5-7-10/h2-9H2,1H3
InChIKeyXXWMLROCVKLNOU-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.91
Rot. Bonds4

About 1-(2-ethylsulfonylethyl)piperidine

1-(2-ethylsulfonylethyl)piperidine (PubChem CID 3104333) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)piperidine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)piperidine
PubChem CID3104333
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-(2-ethylsulfonylethyl)piperidine
SMILESCCS(=O)(=O)CCN1CCCCC1
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)9-8-10-6-4-3-5-7-10/h2-9H2,1H3
InChIKeyXXWMLROCVKLNOU-UHFFFAOYSA-N
XLogP0.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine-1-propanesulphonic acid
CID 70806
piperidinium, 1-methyl-1-(3-sulfopropyl)-, inner salt
CID 10130697
Butyl piperidino sulfone
CID 261674
4-Cyclododecyl-1,4-thiazinane 1,1-dioxide
CID 318479
1-Propylsulfonylpiperidine
CID 303126
Thiomorpholinium, 4-hexadecyl-4-methyl-, methanesulfonate
CID 3056933
3-(1-Methylpiperidin-1-ium-1-yl)propane-1-sulfonic acid
CID 10130698
4-Cycloheptylthiomorpholine 1,1-dioxide
CID 318477
4-Cyclopentylthiomorpholine 1,1-dioxide
CID 318476
1-(1,1-Dioxidotetrahydro-3-thienyl)piperidine
CID 410105
4-Butylthiomorpholine-1,1-dioxide
CID 10987084
1-Pentylsulfonylpiperidine
CID 303124

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)piperidine?
The IUPAC name of 1-(2-ethylsulfonylethyl)piperidine (CID 3104333) is 1-(2-ethylsulfonylethyl)piperidine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)piperidine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)piperidine is CCS(=O)(=O)CCN1CCCCC1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)piperidine?
The InChIKey is XXWMLROCVKLNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-13(11,12)9-8-10-6-4-3-5-7-10/h2-9H2,1H3.
What are the key properties of 1-(2-ethylsulfonylethyl)piperidine?
1-(2-ethylsulfonylethyl)piperidine has a molecular weight of 205.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)piperidine is sourced from PubChem (CID 3104333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).