8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

C6H10FNO2S — CID 131538421

IUPAC8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESO=S1(=O)CCC(F)C12CNC2
InChIInChI=1S/C6H10FNO2S/c7-5-1-2-11(9,10)6(5)3-8-4-6/h5,8H,1-4H2
InChIKeyGTWNDZNBZZUPHS-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.51
Rot. Bonds

About 8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide

8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (PubChem CID 131538421) has the molecular formula C6H10FNO2S and a molecular weight of 179.22 g/mol. Its IUPAC name is 8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.

Molecular Properties

Compound Name8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
PubChem CID131538421
Molecular FormulaC6H10FNO2S
Molecular Weight179.22 g/mol
Exact Mass179.04
IUPAC Name8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
SMILESO=S1(=O)CCC(F)C12CNC2
InChIInChI=1S/C6H10FNO2S/c7-5-1-2-11(9,10)6(5)3-8-4-6/h5,8H,1-4H2
InChIKeyGTWNDZNBZZUPHS-UHFFFAOYSA-N
XLogP-0.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The IUPAC name of 8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide (CID 131538421) is 8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide.
What is the SMILES notation for 8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The canonical SMILES for 8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is O=S1(=O)CCC(F)C12CNC2.
What is the InChIKey of 8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
The InChIKey is GTWNDZNBZZUPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2S/c7-5-1-2-11(9,10)6(5)3-8-4-6/h5,8H,1-4H2.
What are the key properties of 8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide?
8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide has a molecular weight of 179.22 g/mol, XLogP of -0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide is sourced from PubChem (CID 131538421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).