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

C8H13N3O3S — CID 135240733

IUPAC6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCCC1COc2c(S(N)(=O)=O)cnn2C1
InChIInChI=1S/C8H13N3O3S/c1-2-6-4-11-8(14-5-6)7(3-10-11)15(9,12)13/h3,6H,2,4-5H2,1H3,(H2,9,12,13)
InChIKeyIOOOBSRXEHXMKP-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.05
Rot. Bonds2

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

6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (PubChem CID 135240733) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.

Molecular Properties

Compound Name6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
PubChem CID135240733
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCCC1COc2c(S(N)(=O)=O)cnn2C1
InChIInChI=1S/C8H13N3O3S/c1-2-6-4-11-8(14-5-6)7(3-10-11)15(9,12)13/h3,6H,2,4-5H2,1H3,(H2,9,12,13)
InChIKeyIOOOBSRXEHXMKP-UHFFFAOYSA-N
XLogP-0.05
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The IUPAC name of 6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (CID 135240733) is 6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.
What is the SMILES notation for 6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The canonical SMILES for 6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is CCC1COc2c(S(N)(=O)=O)cnn2C1.
What is the InChIKey of 6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The InChIKey is IOOOBSRXEHXMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-2-6-4-11-8(14-5-6)7(3-10-11)15(9,12)13/h3,6H,2,4-5H2,1H3,(H2,9,12,13).
What are the key properties of 6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is sourced from PubChem (CID 135240733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).