9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide

C8H14FNO2S — CID 115025157

IUPAC9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide
SMILESO=S1(=O)CCC2(CC(F)CCN2)C1
InChIInChI=1S/C8H14FNO2S/c9-7-1-3-10-8(5-7)2-4-13(11,12)6-8/h7,10H,1-6H2
InChIKeyVGISANJEZCKODS-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.27
Rot. Bonds

About 9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide

9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide (PubChem CID 115025157) has the molecular formula C8H14FNO2S and a molecular weight of 207.27 g/mol. Its IUPAC name is 9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide.

Molecular Properties

Compound Name9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide
PubChem CID115025157
Molecular FormulaC8H14FNO2S
Molecular Weight207.27 g/mol
Exact Mass207.07
IUPAC Name9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide
SMILESO=S1(=O)CCC2(CC(F)CCN2)C1
InChIInChI=1S/C8H14FNO2S/c9-7-1-3-10-8(5-7)2-4-13(11,12)6-8/h7,10H,1-6H2
InChIKeyVGISANJEZCKODS-UHFFFAOYSA-N
XLogP0.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide
CID 124509901
4-fluoro-1-azaspiro[5.5]undecane;hydrochloride
CID 115025639
9-fluoro-2,6-diazaspiro[4.5]decane
CID 115012372
(4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide
CID 124509913
8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide;hydrochloride
CID 138040668
(6R)-8λ6-thia-1-azaspiro[5.5]undecane 8,8-dioxide
CID 124505621
9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride
CID 115047183
7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one
CID 115017831
2-cyclobutyl-4-fluoro-2-methylpiperidine
CID 115013920
3-ethyl-1,1-dioxothiolan-3-ol
CID 63162812
4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide
CID 115034951
(7R)-7-methyl-4-azaspiro[2.5]octane
CID 155722557

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide?
The IUPAC name of 9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide (CID 115025157) is 9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide.
What is the SMILES notation for 9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide?
The canonical SMILES for 9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide is O=S1(=O)CCC2(CC(F)CCN2)C1.
What is the InChIKey of 9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide?
The InChIKey is VGISANJEZCKODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2S/c9-7-1-3-10-8(5-7)2-4-13(11,12)6-8/h7,10H,1-6H2.
What are the key properties of 9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide?
9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide has a molecular weight of 207.27 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 9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide is sourced from PubChem (CID 115025157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).