4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide

C9H13N3O3S — CID 169042469

IUPAC4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide
SMILESNS(=O)(=O)c1cc2n(n1)CCOC2C1CC1
InChIInChI=1S/C9H13N3O3S/c10-16(13,14)8-5-7-9(6-1-2-6)15-4-3-12(7)11-8/h5-6,9H,1-4H2,(H2,10,13,14)
InChIKeyVZDDKCWDBRNHEA-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.01
Rot. Bonds2

About 4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide

4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide (PubChem CID 169042469) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide.

Molecular Properties

Compound Name4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide
PubChem CID169042469
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide
SMILESNS(=O)(=O)c1cc2n(n1)CCOC2C1CC1
InChIInChI=1S/C9H13N3O3S/c10-16(13,14)8-5-7-9(6-1-2-6)15-4-3-12(7)11-8/h5-6,9H,1-4H2,(H2,10,13,14)
InChIKeyVZDDKCWDBRNHEA-UHFFFAOYSA-N
XLogP0.01
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide?
The IUPAC name of 4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide (CID 169042469) is 4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide.
What is the SMILES notation for 4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide?
The canonical SMILES for 4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide is NS(=O)(=O)c1cc2n(n1)CCOC2C1CC1.
What is the InChIKey of 4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide?
The InChIKey is VZDDKCWDBRNHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-16(13,14)8-5-7-9(6-1-2-6)15-4-3-12(7)11-8/h5-6,9H,1-4H2,(H2,10,13,14).
What are the key properties of 4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide?
4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide has a molecular weight of 243.29 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide is sourced from PubChem (CID 169042469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).