8-ethylsulfonyl-8-azabicyclo[3.2.1]octane

C9H17NO2S — CID 130813199

IUPAC8-ethylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESCCS(=O)(=O)N1C2CCCC1CC2
InChIInChI=1S/C9H17NO2S/c1-2-13(11,12)10-8-4-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3
InChIKeyXCFTZLYFEWSMGJ-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.35
Rot. Bonds2

About 8-ethylsulfonyl-8-azabicyclo[3.2.1]octane

8-ethylsulfonyl-8-azabicyclo[3.2.1]octane (PubChem CID 130813199) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 8-ethylsulfonyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-ethylsulfonyl-8-azabicyclo[3.2.1]octane
PubChem CID130813199
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name8-ethylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESCCS(=O)(=O)N1C2CCCC1CC2
InChIInChI=1S/C9H17NO2S/c1-2-13(11,12)10-8-4-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3
InChIKeyXCFTZLYFEWSMGJ-UHFFFAOYSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethylsulfonyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-ethylsulfonyl-8-azabicyclo[3.2.1]octane (CID 130813199) is 8-ethylsulfonyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-ethylsulfonyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-ethylsulfonyl-8-azabicyclo[3.2.1]octane is CCS(=O)(=O)N1C2CCCC1CC2.
What is the InChIKey of 8-ethylsulfonyl-8-azabicyclo[3.2.1]octane?
The InChIKey is XCFTZLYFEWSMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-2-13(11,12)10-8-4-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3.
What are the key properties of 8-ethylsulfonyl-8-azabicyclo[3.2.1]octane?
8-ethylsulfonyl-8-azabicyclo[3.2.1]octane has a molecular weight of 203.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylsulfonyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130813199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).