3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide

C14H27NO2S — CID 117271660

IUPAC3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide
SMILESCCC1(CCC2CCCS(=O)(=O)C2)CCCCN1
InChIInChI=1S/C14H27NO2S/c1-2-14(8-3-4-10-15-14)9-7-13-6-5-11-18(16,17)12-13/h13,15H,2-12H2,1H3
InChIKeyMZIMQFXQEXMFLK-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.51
Rot. Bonds4

About 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide

3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide (PubChem CID 117271660) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide
PubChem CID117271660
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide
SMILESCCC1(CCC2CCCS(=O)(=O)C2)CCCCN1
InChIInChI=1S/C14H27NO2S/c1-2-14(8-3-4-10-15-14)9-7-13-6-5-11-18(16,17)12-13/h13,15H,2-12H2,1H3
InChIKeyMZIMQFXQEXMFLK-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide
CID 117271576
4-[2-(2-ethylpyrrolidin-2-yl)ethyl]thiane 1,1-dioxide
CID 117271412
[2-[(1,1-dioxothian-3-yl)methyl]piperidin-2-yl]methanol
CID 115103670
4-[2-(2-ethylpyrrolidin-2-yl)ethyl]-1-methylpiperidine
CID 117271420
1-[2-(1,1-dioxothian-3-yl)ethyl]cyclopentan-1-amine
CID 115074208
2-ethyl-2-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidine
CID 117271626
2-ethyl-2-pentylazepane
CID 79116798
2-ethyl-2-(3-methylsulfonylpropyl)azepane
CID 79117199
3-[[5-(methoxymethyl)-5-methylpyrrolidin-3-yl]methyl]thiane 1,1-dioxide
CID 117270596
2-[[2-(methoxymethyl)piperidin-2-yl]methyl]thiolane 1,1-dioxide
CID 117272010
(3S)-3-(chloromethyl)thiane 1,1-dioxide
CID 124510199
3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947359

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide?
The IUPAC name of 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide (CID 117271660) is 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide.
What is the SMILES notation for 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide?
The canonical SMILES for 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide is CCC1(CCC2CCCS(=O)(=O)C2)CCCCN1.
What is the InChIKey of 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide?
The InChIKey is MZIMQFXQEXMFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-2-14(8-3-4-10-15-14)9-7-13-6-5-11-18(16,17)12-13/h13,15H,2-12H2,1H3.
What are the key properties of 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide?
3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide has a molecular weight of 273.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide is sourced from PubChem (CID 117271660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).