1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine

C8H14F2NO5S2- — CID 58961846

IUPAC1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)C(F)(F)SOO[O-]
InChIInChI=1S/C8H15F2NO5S2/c1-6-4-3-5-7(2)11(6)18(13,14)8(9,10)17-16-15-12/h6-7,12H,3-5H2,1-2H3/p-1
InChIKeyOPUFKNGLTKTMBT-UHFFFAOYSA-M
MW306.33 g/mol
LogP1.00
Rot. Bonds5

About 1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine

1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine (PubChem CID 58961846) has the molecular formula C8H14F2NO5S2- and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine
PubChem CID58961846
Molecular FormulaC8H14F2NO5S2-
Molecular Weight306.33 g/mol
Exact Mass306.03
IUPAC Name1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine
SMILESCC1CCCC(C)N1S(=O)(=O)C(F)(F)SOO[O-]
InChIInChI=1S/C8H15F2NO5S2/c1-6-4-3-5-7(2)11(6)18(13,14)8(9,10)17-16-15-12/h6-7,12H,3-5H2,1-2H3/p-1
InChIKeyOPUFKNGLTKTMBT-UHFFFAOYSA-M
XLogP1.00
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.00
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-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine?
The IUPAC name of 1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine (CID 58961846) is 1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine.
What is the SMILES notation for 1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine?
The canonical SMILES for 1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine is CC1CCCC(C)N1S(=O)(=O)C(F)(F)SOO[O-].
What is the InChIKey of 1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine?
The InChIKey is OPUFKNGLTKTMBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15F2NO5S2/c1-6-4-3-5-7(2)11(6)18(13,14)8(9,10)17-16-15-12/h6-7,12H,3-5H2,1-2H3/p-1.
What are the key properties of 1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine?
1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine has a molecular weight of 306.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(oxidoperoxysulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine is sourced from PubChem (CID 58961846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).