1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine

C10H19F2NO5S2 — CID 58961844

IUPAC1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1S(=O)(=O)C(F)(F)SOOO
InChIInChI=1S/C10H19F2NO5S2/c1-8(2)6-5-7-9(3,4)13(8)20(15,16)10(11,12)19-18-17-14/h14H,5-7H2,1-4H3
InChIKeyGLOXMALJOSFYDG-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.98
Rot. Bonds5

About 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine

1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine (PubChem CID 58961844) has the molecular formula C10H19F2NO5S2 and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine
PubChem CID58961844
Molecular FormulaC10H19F2NO5S2
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1S(=O)(=O)C(F)(F)SOOO
InChIInChI=1S/C10H19F2NO5S2/c1-8(2)6-5-7-9(3,4)13(8)20(15,16)10(11,12)19-18-17-14/h14H,5-7H2,1-4H3
InChIKeyGLOXMALJOSFYDG-UHFFFAOYSA-N
XLogP2.98
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine (CID 58961844) is 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1S(=O)(=O)C(F)(F)SOOO.
What is the InChIKey of 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine?
The InChIKey is GLOXMALJOSFYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO5S2/c1-8(2)6-5-7-9(3,4)13(8)20(15,16)10(11,12)19-18-17-14/h14H,5-7H2,1-4H3.
What are the key properties of 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine?
1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine has a molecular weight of 335.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 58961844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).