3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane

C11H13FN2O3S — CID 103300218

IUPAC3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1ncccc1F)N1CC2CCC(C1)O2
InChIInChI=1S/C11H13FN2O3S/c12-10-2-1-5-13-11(10)18(15,16)14-6-8-3-4-9(7-14)17-8/h1-2,5,8-9H,3-4,6-7H2
InChIKeyMLAZGVIVYJVQDE-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.77
Rot. Bonds2

About 3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane

3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 103300218) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID103300218
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1ncccc1F)N1CC2CCC(C1)O2
InChIInChI=1S/C11H13FN2O3S/c12-10-2-1-5-13-11(10)18(15,16)14-6-8-3-4-9(7-14)17-8/h1-2,5,8-9H,3-4,6-7H2
InChIKeyMLAZGVIVYJVQDE-UHFFFAOYSA-N
XLogP0.77
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 103300218) is 3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane is O=S(=O)(c1ncccc1F)N1CC2CCC(C1)O2.
What is the InChIKey of 3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is MLAZGVIVYJVQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c12-10-2-1-5-13-11(10)18(15,16)14-6-8-3-4-9(7-14)17-8/h1-2,5,8-9H,3-4,6-7H2.
What are the key properties of 3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 272.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 103300218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).