3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide

C7H12FNO2S — CID 115019372

IUPAC3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide
SMILESO=S1(=O)CCC2(CC(F)CN2)C1
InChIInChI=1S/C7H12FNO2S/c8-6-3-7(9-4-6)1-2-12(10,11)5-7/h6,9H,1-5H2
InChIKeyFXIKKNHDFGHFNA-UHFFFAOYSA-N
MW193.24 g/mol
LogP-0.12
Rot. Bonds

About 3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide

3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide (PubChem CID 115019372) has the molecular formula C7H12FNO2S and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide.

Molecular Properties

Compound Name3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide
PubChem CID115019372
Molecular FormulaC7H12FNO2S
Molecular Weight193.24 g/mol
Exact Mass193.06
IUPAC Name3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide
SMILESO=S1(=O)CCC2(CC(F)CN2)C1
InChIInChI=1S/C7H12FNO2S/c8-6-3-7(9-4-6)1-2-12(10,11)5-7/h6,9H,1-5H2
InChIKeyFXIKKNHDFGHFNA-UHFFFAOYSA-N
XLogP-0.12
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 ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide?
The IUPAC name of 3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide (CID 115019372) is 3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide.
What is the SMILES notation for 3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide?
The canonical SMILES for 3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide is O=S1(=O)CCC2(CC(F)CN2)C1.
What is the InChIKey of 3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide?
The InChIKey is FXIKKNHDFGHFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2S/c8-6-3-7(9-4-6)1-2-12(10,11)5-7/h6,9H,1-5H2.
What are the key properties of 3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide?
3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide has a molecular weight of 193.24 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7λ6-thia-1-azaspiro[4.4]nonane 7,7-dioxide is sourced from PubChem (CID 115019372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).