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

C7H12FNO2S — CID 105446952

IUPAC9-fluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
SMILESO=S1(=O)CC2CNCC(C1)C2F
InChIInChI=1S/C7H12FNO2S/c8-7-5-1-9-2-6(7)4-12(10,11)3-5/h5-7,9H,1-4H2
InChIKeyCENYKQJWZKWNSE-UHFFFAOYSA-N
MW193.24 g/mol
LogP-0.41
Rot. Bonds

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

9-fluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide (PubChem CID 105446952) has the molecular formula C7H12FNO2S and a molecular weight of 193.24 g/mol. Its IUPAC name is 9-fluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide.

Molecular Properties

Compound Name9-fluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
PubChem CID105446952
Molecular FormulaC7H12FNO2S
Molecular Weight193.24 g/mol
Exact Mass193.06
IUPAC Name9-fluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
SMILESO=S1(=O)CC2CNCC(C1)C2F
InChIInChI=1S/C7H12FNO2S/c8-7-5-1-9-2-6(7)4-12(10,11)3-5/h5-7,9H,1-4H2
InChIKeyCENYKQJWZKWNSE-UHFFFAOYSA-N
XLogP-0.41
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 ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3Lambda4-thia-7-azabicyclo(3.3.1)nonan-3-one hydrochloride
CID 145874597
9,9-Difluoro-3lambda6-thia-7-azabicyclo[3.3.1]nonane-3,3-dione
CID 105464840
3-(Trifluoromethylsulfonylmethyl)piperidine
CID 157475885
3-(2,2,2-Trifluoroethylsulfonylmethyl)piperidine
CID 160563827
3-Fluoro-3-(methanesulfonylmethyl)piperidine
CID 84666243
3-(Fluoromethylsulfonylmethyl)piperidine
CID 84720545
4-(Fluoromethylsulfonylmethyl)piperidine
CID 84720546
4-(3-Fluoropiperidin-4-yl)thiane 1,1-dioxide
CID 105426913
9-Fluoro-3-thia-7-azabicyclo[3.3.1]nonane
CID 105431708
4-Fluoro-3-(methylsulfonylmethyl)piperidine
CID 105449119
3-Fluoro-5-(methylsulfonylmethyl)piperidine
CID 105449122
9-Fluoro-9-methyl-3lambda6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
CID 105460344

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The IUPAC name of 9-fluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide (CID 105446952) is 9-fluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide.
What is the SMILES notation for 9-fluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The canonical SMILES for 9-fluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide is O=S1(=O)CC2CNCC(C1)C2F.
What is the InChIKey of 9-fluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The InChIKey is CENYKQJWZKWNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2S/c8-7-5-1-9-2-6(7)4-12(10,11)3-5/h5-7,9H,1-4H2.
What are the key properties of 9-fluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
9-fluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide has a molecular weight of 193.24 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide is sourced from PubChem (CID 105446952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).