6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

C14H21N5O3S — CID 139019096

IUPAC6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCC(C)n1cc(NS(=O)(=O)c2cnn3c2OCC(C)(C)C3)cn1
InChIInChI=1S/C14H21N5O3S/c1-10(2)18-7-11(5-15-18)17-23(20,21)12-6-16-19-8-14(3,4)9-22-13(12)19/h5-7,10,17H,8-9H2,1-4H3
InChIKeyKMBFLFBAWVHTRN-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.88
Rot. Bonds4

About 6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (PubChem CID 139019096) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.

Molecular Properties

Compound Name6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
PubChem CID139019096
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC Name6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCC(C)n1cc(NS(=O)(=O)c2cnn3c2OCC(C)(C)C3)cn1
InChIInChI=1S/C14H21N5O3S/c1-10(2)18-7-11(5-15-18)17-23(20,21)12-6-16-19-8-14(3,4)9-22-13(12)19/h5-7,10,17H,8-9H2,1-4H3
InChIKeyKMBFLFBAWVHTRN-UHFFFAOYSA-N
XLogP1.88
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The IUPAC name of 6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (CID 139019096) is 6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.
What is the SMILES notation for 6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The canonical SMILES for 6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is CC(C)n1cc(NS(=O)(=O)c2cnn3c2OCC(C)(C)C3)cn1.
What is the InChIKey of 6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The InChIKey is KMBFLFBAWVHTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-10(2)18-7-11(5-15-18)17-23(20,21)12-6-16-19-8-14(3,4)9-22-13(12)19/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of 6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is sourced from PubChem (CID 139019096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).