1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine

C7H13F2NO5S2 — CID 58962031

IUPAC1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine
SMILESO=S(=O)(CC(F)(F)SOOO)N1CCCCC1
InChIInChI=1S/C7H13F2NO5S2/c8-7(9,16-15-14-11)6-17(12,13)10-4-2-1-3-5-10/h11H,1-6H2
InChIKeyLGONMDBOBYNQQO-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.46
Rot. Bonds6

About 1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine

1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine (PubChem CID 58962031) has the molecular formula C7H13F2NO5S2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine
PubChem CID58962031
Molecular FormulaC7H13F2NO5S2
Molecular Weight293.31 g/mol
Exact Mass293.02
IUPAC Name1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine
SMILESO=S(=O)(CC(F)(F)SOOO)N1CCCCC1
InChIInChI=1S/C7H13F2NO5S2/c8-7(9,16-15-14-11)6-17(12,13)10-4-2-1-3-5-10/h11H,1-6H2
InChIKeyLGONMDBOBYNQQO-UHFFFAOYSA-N
XLogP1.46
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,2-Trifluoroethylsulfonyl)piperidine
CID 140304874
1,1,2,2,3,3-Hexafluoro-3-(piperidin-1-ylsulfonyl)propane-1-sulfonic acid
CID 23144941
1-[3,3-Difluoro-3-(trioxidanylsulfanyl)propyl]sulfonylpiperidine
CID 57616841
(1,1,2,2,3,3-Hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide
CID 57981554
(1,1,2,2,3,3-Hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethyl)azanide
CID 58051951
1-(2,2-Difluoropropylsulfonyl)piperidine
CID 58122780
1-(2,2-Difluoroethylsulfonyl)piperidine
CID 58436043
1-[Difluoro(oxidoperoxysulfanyl)methyl]sulfonylpiperidine
CID 58961839
1-[Difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine
CID 58961840
1-[[Difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine
CID 58961981
1-(2,2-Difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine
CID 58962030
1-[[Difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine
CID 58962061

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine?
The IUPAC name of 1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine (CID 58962031) is 1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine.
What is the SMILES notation for 1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine?
The canonical SMILES for 1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine is O=S(=O)(CC(F)(F)SOOO)N1CCCCC1.
What is the InChIKey of 1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine?
The InChIKey is LGONMDBOBYNQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO5S2/c8-7(9,16-15-14-11)6-17(12,13)10-4-2-1-3-5-10/h11H,1-6H2.
What are the key properties of 1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine?
1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine has a molecular weight of 293.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine is sourced from PubChem (CID 58962031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).