3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C7H9F3N4O2S — CID 175813974

IUPAC3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILES[H]N=S(N)(=O)c1cnn2c1OCC(C(F)(F)F)C2
InChIInChI=1S/C7H9F3N4O2S/c8-7(9,10)4-2-14-6(16-3-4)5(1-13-14)17(11,12)15/h1,4H,2-3H2,(H3,11,12,15)
InChIKeyCIMHGBFUNWSJNI-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.73
Rot. Bonds1

About 3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 175813974) has the molecular formula C7H9F3N4O2S and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID175813974
Molecular FormulaC7H9F3N4O2S
Molecular Weight270.24 g/mol
Exact Mass270.04
IUPAC Name3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILES[H]N=S(N)(=O)c1cnn2c1OCC(C(F)(F)F)C2
InChIInChI=1S/C7H9F3N4O2S/c8-7(9,10)4-2-14-6(16-3-4)5(1-13-14)17(11,12)15/h1,4H,2-3H2,(H3,11,12,15)
InChIKeyCIMHGBFUNWSJNI-UHFFFAOYSA-N
XLogP0.73
TPSA93.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 175813974) is 3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is [H]N=S(N)(=O)c1cnn2c1OCC(C(F)(F)F)C2.
What is the InChIKey of 3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is CIMHGBFUNWSJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2S/c8-7(9,10)4-2-14-6(16-3-4)5(1-13-14)17(11,12)15/h1,4H,2-3H2,(H3,11,12,15).
What are the key properties of 3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 270.24 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 175813974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).