3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide

C11H19NO2S — CID 21179759

IUPAC3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCCC1CCCCN1C1C=CS(=O)(=O)C1
InChIInChI=1S/C11H19NO2S/c1-2-10-5-3-4-7-12(10)11-6-8-15(13,14)9-11/h6,8,10-11H,2-5,7,9H2,1H3
InChIKeyYHRZRLXJGPQSOH-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.56
Rot. Bonds2

About 3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide

3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 21179759) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID21179759
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCCC1CCCCN1C1C=CS(=O)(=O)C1
InChIInChI=1S/C11H19NO2S/c1-2-10-5-3-4-7-12(10)11-6-8-15(13,14)9-11/h6,8,10-11H,2-5,7,9H2,1H3
InChIKeyYHRZRLXJGPQSOH-UHFFFAOYSA-N
XLogP1.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-Dioxido-2,3-dihydrothiophen-3-yl)piperidine
CID 2831160
3-Piperidino-5-trimethylgermyl-2,3-dihydrothiophene 1,1-dioxide
CID 10615465
1-Hydroxy-4-piperidyl-4,5-dihydrothiophen-1-one
CID 3719780
4-Methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 10846361
2-Ethenyl-1-hexyl-1-(3-methylsulfonylpropyl)piperidin-1-ium
CID 91805833
(3R)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 1380381
(3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 1380382
(3R)-3-(azepan-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 1413791
(3S)-3-(azepan-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 1413792
3-(Azepan-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 5072962
(3R)-3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 6983465
(3S)-3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 6983466

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide (CID 21179759) is 3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide is CCC1CCCCN1C1C=CS(=O)(=O)C1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is YHRZRLXJGPQSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-2-10-5-3-4-7-12(10)11-6-8-15(13,14)9-11/h6,8,10-11H,2-5,7,9H2,1H3.
What are the key properties of 3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 229.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 21179759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).