1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine

C6H11F2NO5S2 — CID 58961840

IUPAC1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)SOOO
InChIInChI=1S/C6H11F2NO5S2/c7-6(8,15-14-13-10)16(11,12)9-4-2-1-3-5-9/h10H,1-5H2
InChIKeyGMNIYZUXJBAHSA-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.42
Rot. Bonds5

About 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine

1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine (PubChem CID 58961840) has the molecular formula C6H11F2NO5S2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine
PubChem CID58961840
Molecular FormulaC6H11F2NO5S2
Molecular Weight279.29 g/mol
Exact Mass279.00
IUPAC Name1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)SOOO
InChIInChI=1S/C6H11F2NO5S2/c7-6(8,15-14-13-10)16(11,12)9-4-2-1-3-5-9/h10H,1-5H2
InChIKeyGMNIYZUXJBAHSA-UHFFFAOYSA-N
XLogP1.42
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.42
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-(Trifluoromethylsulfonyl)piperidine
CID 11085234
[1-(Trifluoromethylsulfonyl)piperidin-1-ium-1-yl] trifluoromethanesulfonate
CID 90797662
1-(Difluoroiodomethylsulfonyl)piperidine
CID 129823529
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
1,1,1-trifluoro-N-(piperidin-1-ylsulfonylmethylsulfonyl)methanesulfonamide
CID 57896051
1-(Difluoromethylsulfonyl)piperidine
CID 58435991
1-[Difluoro(oxidoperoxysulfanyl)methyl]sulfonylpiperidine
CID 58961839
1-[Difluoro(trioxidanylsulfanyl)methyl]sulfonyl-2,6-dimethylpiperidine
CID 58961847
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

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine?
The IUPAC name of 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine (CID 58961840) is 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine.
What is the SMILES notation for 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine?
The canonical SMILES for 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine is O=S(=O)(N1CCCCC1)C(F)(F)SOOO.
What is the InChIKey of 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine?
The InChIKey is GMNIYZUXJBAHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO5S2/c7-6(8,15-14-13-10)16(11,12)9-4-2-1-3-5-9/h10H,1-5H2.
What are the key properties of 1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine?
1-[difluoro(trioxidanylsulfanyl)methyl]sulfonylpiperidine has a molecular weight of 279.29 g/mol, XLogP of 1.42, 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]sulfonylpiperidine is sourced from PubChem (CID 58961840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).