1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine

C7H12F2NO5S2- — CID 58962030

IUPAC1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine
SMILESO=S(=O)(CC(F)(F)SOO[O-])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/p-1
InChIKeyLGONMDBOBYNQQO-UHFFFAOYSA-M
MW292.31 g/mol
LogP0.27
Rot. Bonds6

About 1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine

1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine (PubChem CID 58962030) has the molecular formula C7H12F2NO5S2- and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine
PubChem CID58962030
Molecular FormulaC7H12F2NO5S2-
Molecular Weight292.31 g/mol
Exact Mass292.01
IUPAC Name1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine
SMILESO=S(=O)(CC(F)(F)SOO[O-])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/p-1
InChIKeyLGONMDBOBYNQQO-UHFFFAOYSA-M
XLogP0.27
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.27
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine?
The IUPAC name of 1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine (CID 58962030) is 1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine.
What is the SMILES notation for 1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine?
The canonical SMILES for 1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine is O=S(=O)(CC(F)(F)SOO[O-])N1CCCCC1.
What is the InChIKey of 1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine?
The InChIKey is LGONMDBOBYNQQO-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine?
1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine has a molecular weight of 292.31 g/mol, XLogP of 0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-oxidoperoxysulfanylethyl)sulfonylpiperidine is sourced from PubChem (CID 58962030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).