9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide

C8H14FNO2S — CID 105460344

IUPAC9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
SMILESCC1(F)C2CNCC1CS(=O)(=O)C2
InChIInChI=1S/C8H14FNO2S/c1-8(9)6-2-10-3-7(8)5-13(11,12)4-6/h6-7,10H,2-5H2,1H3
InChIKeyHQWMRQMGZZFXFP-UHFFFAOYSA-N
MW207.27 g/mol
LogP-0.02
Rot. Bonds

About 9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide

9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide (PubChem CID 105460344) has the molecular formula C8H14FNO2S and a molecular weight of 207.27 g/mol. Its IUPAC name is 9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide.

Molecular Properties

Compound Name9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
PubChem CID105460344
Molecular FormulaC8H14FNO2S
Molecular Weight207.27 g/mol
Exact Mass207.07
IUPAC Name9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
SMILESCC1(F)C2CNCC1CS(=O)(=O)C2
InChIInChI=1S/C8H14FNO2S/c1-8(9)6-2-10-3-7(8)5-13(11,12)4-6/h6-7,10H,2-5H2,1H3
InChIKeyHQWMRQMGZZFXFP-UHFFFAOYSA-N
XLogP-0.02
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 ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-Difluoro-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione
CID 105464840
4-[1-(2-Fluoroethylsulfonyl)ethyl]piperidine
CID 84020121
4-(3-Fluoropiperidin-4-yl)thiane 1,1-dioxide
CID 105426913
4-(3,3-Difluoropiperidin-4-yl)thiane 1,1-dioxide
CID 105426914
9-Fluoro-9-methyl-3-thia-7-azabicyclo[3.3.1]nonane
CID 105436283
9-Fluoro-3lambda6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
CID 105446952
2-(1,1-dioxothian-4-yl)-2-fluoro-N-methylpropan-1-amine
CID 105480915
3-(1,1-dioxothian-4-yl)-3-fluoro-N-methylbutan-1-amine
CID 105499496
9,9-Difluoro-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione hydrochloride
CID 105507299
3-Fluoro-3-(2-propylsulfonylethyl)piperidine
CID 106735896
3-(2-Tert-butylsulfonylethyl)-3-fluoropiperidine
CID 106735897
3-(2-Ethylsulfonylethyl)-3-fluoropiperidine
CID 106735898

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The IUPAC name of 9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide (CID 105460344) is 9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide.
What is the SMILES notation for 9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The canonical SMILES for 9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide is CC1(F)C2CNCC1CS(=O)(=O)C2.
What is the InChIKey of 9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The InChIKey is HQWMRQMGZZFXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2S/c1-8(9)6-2-10-3-7(8)5-13(11,12)4-6/h6-7,10H,2-5H2,1H3.
What are the key properties of 9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide has a molecular weight of 207.27 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-9-methyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide is sourced from PubChem (CID 105460344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).