1-(2-ethylsulfonylethyl)azocane

C11H23NO2S — CID 167779827

IUPAC1-(2-ethylsulfonylethyl)azocane
SMILESCCS(=O)(=O)CCN1CCCCCCC1
InChIInChI=1S/C11H23NO2S/c1-2-15(13,14)11-10-12-8-6-4-3-5-7-9-12/h2-11H2,1H3
InChIKeyXBLOUKFFIYJSGJ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.69
Rot. Bonds4

About 1-(2-ethylsulfonylethyl)azocane

1-(2-ethylsulfonylethyl)azocane (PubChem CID 167779827) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)azocane.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)azocane
PubChem CID167779827
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-(2-ethylsulfonylethyl)azocane
SMILESCCS(=O)(=O)CCN1CCCCCCC1
InChIInChI=1S/C11H23NO2S/c1-2-15(13,14)11-10-12-8-6-4-3-5-7-9-12/h2-11H2,1H3
InChIKeyXBLOUKFFIYJSGJ-UHFFFAOYSA-N
XLogP1.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-piperidin-1-ylethanesulfonamide
CID 58968860
1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
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1-(2-ethylsulfonylethyl)piperidine-4-carboxylic acid
CID 43808024
2-(2-ethylsulfonylethyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 114112222
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023
CID 59175965
CID 59175965
4-piperidin-1-ylbutane-1-sulfonamide
CID 123535345
1-(2-ethylsulfonylethyl)-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111416549
3-[4-(2-propylsulfonylethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 106722626
2-(2-piperidin-1-ylethylsulfonyl)butanoic acid
CID 82180685
4-(2-pyrrolidin-1-ylethylsulfonyl)butanoic acid
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N-ethyl-1-(2-ethylsulfonylethyl)piperidin-4-amine
CID 60820479

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)azocane?
The IUPAC name of 1-(2-ethylsulfonylethyl)azocane (CID 167779827) is 1-(2-ethylsulfonylethyl)azocane.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)azocane?
The canonical SMILES for 1-(2-ethylsulfonylethyl)azocane is CCS(=O)(=O)CCN1CCCCCCC1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)azocane?
The InChIKey is XBLOUKFFIYJSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-2-15(13,14)11-10-12-8-6-4-3-5-7-9-12/h2-11H2,1H3.
What are the key properties of 1-(2-ethylsulfonylethyl)azocane?
1-(2-ethylsulfonylethyl)azocane has a molecular weight of 233.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)azocane is sourced from PubChem (CID 167779827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).