3-sulfonyl-8-azabicyclo[3.2.1]octane

C7H11NO2S — CID 87375160

IUPAC3-sulfonyl-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)=C1CC2CCC(C1)N2
InChIInChI=1S/C7H11NO2S/c9-11(10)7-3-5-1-2-6(4-7)8-5/h5-6,8H,1-4H2
InChIKeyXYAMPGUGHSZUFA-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.05
Rot. Bonds

About 3-sulfonyl-8-azabicyclo[3.2.1]octane

3-sulfonyl-8-azabicyclo[3.2.1]octane (PubChem CID 87375160) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-sulfonyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-sulfonyl-8-azabicyclo[3.2.1]octane
PubChem CID87375160
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name3-sulfonyl-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)=C1CC2CCC(C1)N2
InChIInChI=1S/C7H11NO2S/c9-11(10)7-3-5-1-2-6(4-7)8-5/h5-6,8H,1-4H2
InChIKeyXYAMPGUGHSZUFA-UHFFFAOYSA-N
XLogP-0.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-sulfonyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-sulfonyl-8-azabicyclo[3.2.1]octane (CID 87375160) is 3-sulfonyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-sulfonyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-sulfonyl-8-azabicyclo[3.2.1]octane is O=S(=O)=C1CC2CCC(C1)N2.
What is the InChIKey of 3-sulfonyl-8-azabicyclo[3.2.1]octane?
The InChIKey is XYAMPGUGHSZUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c9-11(10)7-3-5-1-2-6(4-7)8-5/h5-6,8H,1-4H2.
What are the key properties of 3-sulfonyl-8-azabicyclo[3.2.1]octane?
3-sulfonyl-8-azabicyclo[3.2.1]octane has a molecular weight of 173.24 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfonyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 87375160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).