3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane

C12H21F2NO2S — CID 58122717

IUPAC3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane
SMILESCC(F)(F)S(=O)(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C12H21F2NO2S/c1-11(13,14)18(16,17)15-9-7-12(8-10-15)5-3-2-4-6-12/h2-10H2,1H3
InChIKeyGHWCNCLDHLSTSR-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.98
Rot. Bonds2

About 3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane

3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane (PubChem CID 58122717) has the molecular formula C12H21F2NO2S and a molecular weight of 281.37 g/mol. Its IUPAC name is 3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane
PubChem CID58122717
Molecular FormulaC12H21F2NO2S
Molecular Weight281.37 g/mol
Exact Mass281.13
IUPAC Name3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane
SMILESCC(F)(F)S(=O)(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C12H21F2NO2S/c1-11(13,14)18(16,17)15-9-7-12(8-10-15)5-3-2-4-6-12/h2-10H2,1H3
InChIKeyGHWCNCLDHLSTSR-UHFFFAOYSA-N
XLogP2.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Difluoromethylsulfonyl)-3-azaspiro[5.5]undecane
CID 58435995
3-[Difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-3-azaspiro[5.5]undecane
CID 58962087
3-[Difluoro(trioxidanylsulfanyl)methyl]sulfonyl-3-azaspiro[5.5]undecane
CID 58962088
3,5-Ditert-butyl-1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine
CID 88869797
3-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)-3-azaspiro[5.5]undecane
CID 88916719
5-(3-Azaspiro[5.5]undecan-3-ylsulfonyl)-3-ethyl-4,4-difluorohexane-3-sulfonic acid
CID 89153500
3-(3-Azaspiro[5.5]undecan-3-ylsulfonyl)-3-fluoro-2-methylbutane-2-sulfinic acid
CID 90320479
3-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)-3-azaspiro[5.5]undecane
CID 126638169
4-(4-Methylnonan-4-yl)-1-(trifluoromethylsulfonyl)piperidine
CID 126648007
4-(3-Methylhexan-3-yl)-1-(trifluoromethylsulfonyl)piperidine
CID 126648109
4-(3-Methylnonan-3-yl)-1-(trifluoromethylsulfonyl)piperidine
CID 126648172
4-Pentyl-1-(1,1,2-trifluoroethylsulfonyl)piperidine
CID 162594224

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane?
The IUPAC name of 3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane (CID 58122717) is 3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane is CC(F)(F)S(=O)(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane?
The InChIKey is GHWCNCLDHLSTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2S/c1-11(13,14)18(16,17)15-9-7-12(8-10-15)5-3-2-4-6-12/h2-10H2,1H3.
What are the key properties of 3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane?
3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane has a molecular weight of 281.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethylsulfonyl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 58122717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).