(3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide

C11H13F3NO7S2- — CID 140750686

IUPAC(3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=C1OCC2C3CCC(CC3OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C12
InChIInChI=1S/C11H13F3NO7S2/c12-11(13,14)23(17,18)15-24(19,20)22-8-3-5-1-2-6(8)7-4-21-10(16)9(5)7/h5-9H,1-4H2/q-1
InChIKeyQGIIGZAMOVFOOU-UHFFFAOYSA-N
MW392.35 g/mol
LogP1.06
Rot. Bonds4

About (3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide

(3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 140750686) has the molecular formula C11H13F3NO7S2- and a molecular weight of 392.35 g/mol. Its IUPAC name is (3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name(3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID140750686
Molecular FormulaC11H13F3NO7S2-
Molecular Weight392.35 g/mol
Exact Mass392.01
IUPAC Name(3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=C1OCC2C3CCC(CC3OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C12
InChIInChI=1S/C11H13F3NO7S2/c12-11(13,14)23(17,18)15-24(19,20)22-8-3-5-1-2-6(8)7-4-21-10(16)9(5)7/h5-9H,1-4H2/q-1
InChIKeyQGIIGZAMOVFOOU-UHFFFAOYSA-N
XLogP1.06
TPSA117.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 11804959
(1S,2S,6S,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 124787625
(1S,2R,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 98519994
(3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl) 2-iodobutanoate
CID 129121598
oxolan-3-yloxysulfonyl(trifluoromethylsulfonyl)azanide
CID 140750805
[4-(dimethylamino)-1,1,2,2,3,3-hexafluoro-4-oxobutyl]sulfonyl-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxysulfonyl)azanide
CID 140750729
[(7S)-3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl] 2-methylprop-2-enoate
CID 126487493
9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 22034576
8,9-dihydroxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 22034559
2-adamantyloxysulfonyl-[cyclopentyloxysulfonyl(difluoro)methyl]sulfonylazanide
CID 140750687
3-[4-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylmethylsulfonyl)propyl]sulfonylcyclohexyl]oxolan-2-one
CID 162452999
(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 70888779

Frequently Asked Questions

What is the IUPAC name of (3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of (3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide (CID 140750686) is (3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for (3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for (3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide is O=C1OCC2C3CCC(CC3OS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C12.
What is the InChIKey of (3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is QGIIGZAMOVFOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3NO7S2/c12-11(13,14)23(17,18)15-24(19,20)22-8-3-5-1-2-6(8)7-4-21-10(16)9(5)7/h5-9H,1-4H2/q-1.
What are the key properties of (3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide?
(3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 392.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-4-oxatricyclo[5.2.2.02,6]undecan-8-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 140750686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).