1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine

C7H13F2NO6S2 — CID 58962062

IUPAC1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine
SMILESO=S(=O)(COC(F)(F)SOOO)N1CCCCC1
InChIInChI=1S/C7H13F2NO6S2/c8-7(9,17-16-15-11)14-6-18(12,13)10-4-2-1-3-5-10/h11H,1-6H2
InChIKeyFHVQFINZXZIIRL-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.40
Rot. Bonds7

About 1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine

1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine (PubChem CID 58962062) has the molecular formula C7H13F2NO6S2 and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine.

Molecular Properties

Compound Name1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine
PubChem CID58962062
Molecular FormulaC7H13F2NO6S2
Molecular Weight309.31 g/mol
Exact Mass309.02
IUPAC Name1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine
SMILESO=S(=O)(COC(F)(F)SOOO)N1CCCCC1
InChIInChI=1S/C7H13F2NO6S2/c8-7(9,17-16-15-11)14-6-18(12,13)10-4-2-1-3-5-10/h11H,1-6H2
InChIKeyFHVQFINZXZIIRL-UHFFFAOYSA-N
XLogP1.40
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-[3,3-Difluoro-3-(trioxidanylsulfanyl)propyl]sulfonylpiperidine
CID 57616841
1-(1,1-Difluoroethoxymethylsulfonyl)piperidine
CID 58122787
1-[Difluoromethoxy(difluoro)methyl]sulfonylpiperidine
CID 58435944
1-(Difluoromethoxymethylsulfonyl)piperidine
CID 58436036
1-[Difluoro(oxidoperoxysulfanyl)methyl]sulfonylpiperidine
CID 58961839
1-[Difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine
CID 58961840
1-[[Difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine
CID 58961980
1-[[Difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine
CID 58961981
1-(2,2-Difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine
CID 58962030
1-[2,2-Difluoro-2-(trioxidanylsulfanyl)ethyl]sulfonylpiperidine
CID 58962031
1-[[Difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine
CID 58962061
[Difluoro(piperidin-1-ylsulfonyl)methoxy]-difluoromethanesulfonic acid
CID 88487580

Frequently Asked Questions

What is the IUPAC name of 1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine?
The IUPAC name of 1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine (CID 58962062) is 1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine.
What is the SMILES notation for 1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine?
The canonical SMILES for 1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine is O=S(=O)(COC(F)(F)SOOO)N1CCCCC1.
What is the InChIKey of 1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine?
The InChIKey is FHVQFINZXZIIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO6S2/c8-7(9,17-16-15-11)14-6-18(12,13)10-4-2-1-3-5-10/h11H,1-6H2.
What are the key properties of 1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine?
1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine has a molecular weight of 309.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine is sourced from PubChem (CID 58962062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).