3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane

C8H15NO3S — CID 66370739

IUPAC3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCCS(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C8H15NO3S/c1-2-13(10,11)9-5-7-3-4-8(6-9)12-7/h7-8H,2-6H2,1H3
InChIKeyWHCJBYVXXKTSIF-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.20
Rot. Bonds2

About 3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane

3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66370739) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66370739
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCCS(=O)(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C8H15NO3S/c1-2-13(10,11)9-5-7-3-4-8(6-9)12-7/h7-8H,2-6H2,1H3
InChIKeyWHCJBYVXXKTSIF-UHFFFAOYSA-N
XLogP0.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane (CID 66370739) is 3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane is CCS(=O)(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is WHCJBYVXXKTSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-2-13(10,11)9-5-7-3-4-8(6-9)12-7/h7-8H,2-6H2,1H3.
What are the key properties of 3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane?
3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 205.28 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66370739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).