6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

C6H9N3O3S — CID 119031861

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESNS(=O)(=O)c1cnn2c1OCCC2
InChIInChI=1S/C6H9N3O3S/c7-13(10,11)5-4-8-9-2-1-3-12-6(5)9/h4H,1-3H2,(H2,7,10,11)
InChIKeyMBGGXNNSIXSZBK-UHFFFAOYSA-N
MW203.22 g/mol
LogP-0.69
Rot. Bonds1

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (PubChem CID 119031861) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
PubChem CID119031861
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESNS(=O)(=O)c1cnn2c1OCCC2
InChIInChI=1S/C6H9N3O3S/c7-13(10,11)5-4-8-9-2-1-3-12-6(5)9/h4H,1-3H2,(H2,7,10,11)
InChIKeyMBGGXNNSIXSZBK-UHFFFAOYSA-N
XLogP-0.69
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
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
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
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
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
6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonic acid
CID 168073358
3-(Aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 168750985

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (CID 119031861) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is NS(=O)(=O)c1cnn2c1OCCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The InChIKey is MBGGXNNSIXSZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3S/c7-13(10,11)5-4-8-9-2-1-3-12-6(5)9/h4H,1-3H2,(H2,7,10,11).
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide has a molecular weight of 203.22 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is sourced from PubChem (CID 119031861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).