N-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

C11H16F3N3O3S — CID 154798392

IUPACN-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCCN(C(C)C(F)(F)F)S(=O)(=O)c1cnn2c1OCCC2
InChIInChI=1S/C11H16F3N3O3S/c1-3-17(8(2)11(12,13)14)21(18,19)9-7-15-16-5-4-6-20-10(9)16/h7-8H,3-6H2,1-2H3
InChIKeyRAXGFRHOADSZKK-UHFFFAOYSA-N
MW327.33 g/mol
LogP1.63
Rot. Bonds4

About N-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

N-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (PubChem CID 154798392) has the molecular formula C11H16F3N3O3S and a molecular weight of 327.33 g/mol. Its IUPAC name is N-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
PubChem CID154798392
Molecular FormulaC11H16F3N3O3S
Molecular Weight327.33 g/mol
Exact Mass327.09
IUPAC NameN-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCCN(C(C)C(F)(F)F)S(=O)(=O)c1cnn2c1OCCC2
InChIInChI=1S/C11H16F3N3O3S/c1-3-17(8(2)11(12,13)14)21(18,19)9-7-15-16-5-4-6-20-10(9)16/h7-8H,3-6H2,1-2H3
InChIKeyRAXGFRHOADSZKK-UHFFFAOYSA-N
XLogP1.63
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
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
3-[(2R)-2-tert-butylmorpholin-4-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 171359397
1-(Difluoromethyl)-3-ethoxy-pyrazole-4-sulfonyl chloride
CID 118164794
1-(Difluoromethyl)-3-ethoxypyrazole-4-sulfonic acid
CID 118165054
3-Ethoxy-1-(1-fluoroethyl)pyrazole-4-sulfonyl chloride
CID 123761594
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
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The IUPAC name of N-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (CID 154798392) is N-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is CCN(C(C)C(F)(F)F)S(=O)(=O)c1cnn2c1OCCC2.
What is the InChIKey of N-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The InChIKey is RAXGFRHOADSZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3S/c1-3-17(8(2)11(12,13)14)21(18,19)9-7-15-16-5-4-6-20-10(9)16/h7-8H,3-6H2,1-2H3.
What are the key properties of N-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
N-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide has a molecular weight of 327.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is sourced from PubChem (CID 154798392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).