8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide

C7H12FNO2S — CID 105446953

IUPAC8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide
SMILESCC1(F)C2CNCC1S(=O)(=O)C2
InChIInChI=1S/C7H12FNO2S/c1-7(8)5-2-9-3-6(7)12(10,11)4-5/h5-6,9H,2-4H2,1H3
InChIKeyAXDKZTNJOUSAMX-UHFFFAOYSA-N
MW193.24 g/mol
LogP-0.27
Rot. Bonds

About 8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide

8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide (PubChem CID 105446953) has the molecular formula C7H12FNO2S and a molecular weight of 193.24 g/mol. Its IUPAC name is 8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide.

Molecular Properties

Compound Name8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide
PubChem CID105446953
Molecular FormulaC7H12FNO2S
Molecular Weight193.24 g/mol
Exact Mass193.06
IUPAC Name8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide
SMILESCC1(F)C2CNCC1S(=O)(=O)C2
InChIInChI=1S/C7H12FNO2S/c1-7(8)5-2-9-3-6(7)12(10,11)4-5/h5-6,9H,2-4H2,1H3
InChIKeyAXDKZTNJOUSAMX-UHFFFAOYSA-N
XLogP-0.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide?
The IUPAC name of 8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide (CID 105446953) is 8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide.
What is the SMILES notation for 8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide?
The canonical SMILES for 8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide is CC1(F)C2CNCC1S(=O)(=O)C2.
What is the InChIKey of 8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide?
The InChIKey is AXDKZTNJOUSAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2S/c1-7(8)5-2-9-3-6(7)12(10,11)4-5/h5-6,9H,2-4H2,1H3.
What are the key properties of 8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide?
8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide has a molecular weight of 193.24 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-8-methyl-6λ6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide is sourced from PubChem (CID 105446953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).