3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine

C8H11F3N4O2S — CID 168750985

IUPAC3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
SMILES[H]N=S(N)(=O)c1cnn2c1OCC(C)(C(F)(F)F)C2
InChIInChI=1S/C8H11F3N4O2S/c1-7(8(9,10)11)3-15-6(17-4-7)5(2-14-15)18(12,13)16/h2H,3-4H2,1H3,(H3,12,13,16)
InChIKeyWFIYSOVNQJMXGH-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.12
Rot. Bonds1

About 3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine

3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine (PubChem CID 168750985) has the molecular formula C8H11F3N4O2S and a molecular weight of 284.26 g/mol. Its IUPAC name is 3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
PubChem CID168750985
Molecular FormulaC8H11F3N4O2S
Molecular Weight284.26 g/mol
Exact Mass284.06
IUPAC Name3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
SMILES[H]N=S(N)(=O)c1cnn2c1OCC(C)(C(F)(F)F)C2
InChIInChI=1S/C8H11F3N4O2S/c1-7(8(9,10)11)3-15-6(17-4-7)5(2-14-15)18(12,13)16/h2H,3-4H2,1H3,(H3,12,13,16)
InChIKeyWFIYSOVNQJMXGH-UHFFFAOYSA-N
XLogP1.12
TPSA93.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-sulfonyl chloride
CID 84687958
5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-sulfonamide
CID 119031861
6,6-dimethyl-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-sulfonyl chloride
CID 131598270
6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 135241139
6-(3-fluoroazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 138579578
6-[[(2,2,2-trifluoroacetyl)amino]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
CID 146225614
2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide
CID 146225675
2,2,2-trifluoro-N-methyl-N-[(6S)-3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]acetamide
CID 146303257
6,6-Difluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
CID 163198525
(6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonyl chloride
CID 165369872
(6S)-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 165369932
(6S)-N-[tert-butyl(dimethyl)silyl]-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 165370338

Frequently Asked Questions

What is the IUPAC name of 3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine (CID 168750985) is 3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine is [H]N=S(N)(=O)c1cnn2c1OCC(C)(C(F)(F)F)C2.
What is the InChIKey of 3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The InChIKey is WFIYSOVNQJMXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2S/c1-7(8(9,10)11)3-15-6(17-4-7)5(2-14-15)18(12,13)16/h2H,3-4H2,1H3,(H3,12,13,16).
What are the key properties of 3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine has a molecular weight of 284.26 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 168750985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).