3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone

C11H13NO2S — CID 71795911

IUPAC3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1C2CCC1COC2
InChIInChI=1S/C11H13NO2S/c13-11(8-3-4-15-7-8)12-9-1-2-10(12)6-14-5-9/h3-4,7,9-10H,1-2,5-6H2
InChIKeyVSOGXJKCPHASMZ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.75
Rot. Bonds1

About 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone

3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone (PubChem CID 71795911) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone.

Molecular Properties

Compound Name3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone
PubChem CID71795911
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)N1C2CCC1COC2
InChIInChI=1S/C11H13NO2S/c13-11(8-3-4-15-7-8)12-9-1-2-10(12)6-14-5-9/h3-4,7,9-10H,1-2,5-6H2
InChIKeyVSOGXJKCPHASMZ-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone?
The IUPAC name of 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone (CID 71795911) is 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone.
What is the SMILES notation for 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone?
The canonical SMILES for 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone is O=C(c1ccsc1)N1C2CCC1COC2.
What is the InChIKey of 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone?
The InChIKey is VSOGXJKCPHASMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-11(8-3-4-15-7-8)12-9-1-2-10(12)6-14-5-9/h3-4,7,9-10H,1-2,5-6H2.
What are the key properties of 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone?
3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone has a molecular weight of 223.30 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(thiophen-3-yl)methanone is sourced from PubChem (CID 71795911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).