3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide

C6H11NO2S — CID 102218590

IUPAC3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide
SMILESO=S1(=O)CC2CCC(C1)N2
InChIInChI=1S/C6H11NO2S/c8-10(9)3-5-1-2-6(4-10)7-5/h5-7H,1-4H2
InChIKeyXNUWJIVEALIHMO-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.46
Rot. Bonds

About 3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide

3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide (PubChem CID 102218590) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide.

Molecular Properties

Compound Name3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide
PubChem CID102218590
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide
SMILESO=S1(=O)CC2CCC(C1)N2
InChIInChI=1S/C6H11NO2S/c8-10(9)3-5-1-2-6(4-10)7-5/h5-7H,1-4H2
InChIKeyXNUWJIVEALIHMO-UHFFFAOYSA-N
XLogP-0.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide?
The IUPAC name of 3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide (CID 102218590) is 3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide.
What is the SMILES notation for 3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide?
The canonical SMILES for 3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide is O=S1(=O)CC2CCC(C1)N2.
What is the InChIKey of 3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide?
The InChIKey is XNUWJIVEALIHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c8-10(9)3-5-1-2-6(4-10)7-5/h5-7H,1-4H2.
What are the key properties of 3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide?
3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide has a molecular weight of 161.23 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide is sourced from PubChem (CID 102218590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).