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

C7H11N3O3S — CID 135241126

IUPAC6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCC1COc2c(S(N)(=O)=O)cnn2C1
InChIInChI=1S/C7H11N3O3S/c1-5-3-10-7(13-4-5)6(2-9-10)14(8,11)12/h2,5H,3-4H2,1H3,(H2,8,11,12)
InChIKeyPVNJLQUROZGTHJ-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.44
Rot. Bonds1

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

6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (PubChem CID 135241126) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.

Molecular Properties

Compound Name6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
PubChem CID135241126
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCC1COc2c(S(N)(=O)=O)cnn2C1
InChIInChI=1S/C7H11N3O3S/c1-5-3-10-7(13-4-5)6(2-9-10)14(8,11)12/h2,5H,3-4H2,1H3,(H2,8,11,12)
InChIKeyPVNJLQUROZGTHJ-UHFFFAOYSA-N
XLogP-0.44
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The IUPAC name of 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (CID 135241126) is 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.
What is the SMILES notation for 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The canonical SMILES for 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is CC1COc2c(S(N)(=O)=O)cnn2C1.
What is the InChIKey of 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The InChIKey is PVNJLQUROZGTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-5-3-10-7(13-4-5)6(2-9-10)14(8,11)12/h2,5H,3-4H2,1H3,(H2,8,11,12).
What are the key properties of 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide has a molecular weight of 217.25 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is sourced from PubChem (CID 135241126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).