2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide

C9H11F3N4O4S — CID 146225675

IUPAC2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide
SMILESNS(=O)(=O)c1cnn2c1OCC(CNC(=O)C(F)(F)F)C2
InChIInChI=1S/C9H11F3N4O4S/c10-9(11,12)8(17)14-1-5-3-16-7(20-4-5)6(2-15-16)21(13,18)19/h2,5H,1,3-4H2,(H,14,17)(H2,13,18,19)
InChIKeyLXMKUXFNSURGPC-UHFFFAOYSA-N
MW328.27 g/mol
LogP-0.78
Rot. Bonds3

About 2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide

2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide (PubChem CID 146225675) has the molecular formula C9H11F3N4O4S and a molecular weight of 328.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide
PubChem CID146225675
Molecular FormulaC9H11F3N4O4S
Molecular Weight328.27 g/mol
Exact Mass328.05
IUPAC Name2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide
SMILESNS(=O)(=O)c1cnn2c1OCC(CNC(=O)C(F)(F)F)C2
InChIInChI=1S/C9H11F3N4O4S/c10-9(11,12)8(17)14-1-5-3-16-7(20-4-5)6(2-15-16)21(13,18)19/h2,5H,1,3-4H2,(H,14,17)(H2,13,18,19)
InChIKeyLXMKUXFNSURGPC-UHFFFAOYSA-N
XLogP-0.78
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-sulfonamide
CID 119031861
6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 135241139
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-methyl-N-[(6S)-3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]acetamide
CID 146303257
2,2,2-trifluoro-N-[(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide
CID 146610993
N-[[3-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]methyl]-2,2,2-trifluoroacetamide
CID 153588191
3-(Aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 168750985
(6S)-N-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 169838009
3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 175813974
3-[(6,6-difluoro-1,4-oxazepan-4-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 126819042
N-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 128774183
6-[[(2,2,2-trifluoroacetyl)amino]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfinate
CID 153278029

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide (CID 146225675) is 2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide is NS(=O)(=O)c1cnn2c1OCC(CNC(=O)C(F)(F)F)C2.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide?
The InChIKey is LXMKUXFNSURGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O4S/c10-9(11,12)8(17)14-1-5-3-16-7(20-4-5)6(2-15-16)21(13,18)19/h2,5H,1,3-4H2,(H,14,17)(H2,13,18,19).
What are the key properties of 2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide has a molecular weight of 328.27 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide is sourced from PubChem (CID 146225675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).