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

C13H25NO2S — CID 117271576

IUPAC3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide
SMILESCCC1(CCC2CCS(=O)(=O)C2)CCCCN1
InChIInChI=1S/C13H25NO2S/c1-2-13(7-3-4-9-14-13)8-5-12-6-10-17(15,16)11-12/h12,14H,2-11H2,1H3
InChIKeyQCVGQAYMOQUJSJ-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.12
Rot. Bonds4

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

3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide (PubChem CID 117271576) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide
PubChem CID117271576
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide
SMILESCCC1(CCC2CCS(=O)(=O)C2)CCCCN1
InChIInChI=1S/C13H25NO2S/c1-2-13(7-3-4-9-14-13)8-5-12-6-10-17(15,16)11-12/h12,14H,2-11H2,1H3
InChIKeyQCVGQAYMOQUJSJ-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-ethylpiperidin-2-yl)ethyl]thiane 1,1-dioxide
CID 117271660
4-[2-(2-ethylpyrrolidin-2-yl)ethyl]thiane 1,1-dioxide
CID 117271412
4-[2-(2-ethylpyrrolidin-2-yl)ethyl]-1-methylpiperidine
CID 117271420
[2-[(1,1-dioxothian-3-yl)methyl]piperidin-2-yl]methanol
CID 115103670
2-ethyl-2-pentylazepane
CID 79116798
3-[(2,5,5-triethylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 64947359
1-[2-(1,1-dioxothian-3-yl)ethyl]cyclopentan-1-amine
CID 115074208
2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
CID 39871724
2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460979
2-[(3S)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460980
N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine
CID 135977171
2-methyl-2-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidine
CID 117271582

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide (CID 117271576) is 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide is CCC1(CCC2CCS(=O)(=O)C2)CCCCN1.
What is the InChIKey of 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide?
The InChIKey is QCVGQAYMOQUJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-2-13(7-3-4-9-14-13)8-5-12-6-10-17(15,16)11-12/h12,14H,2-11H2,1H3.
What are the key properties of 3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide?
3-[2-(2-ethylpiperidin-2-yl)ethyl]thiolane 1,1-dioxide has a molecular weight of 259.41 g/mol, XLogP of 2.12, 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]thiolane 1,1-dioxide is sourced from PubChem (CID 117271576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).