N-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

C15H20N4O3S — CID 138021265

IUPACN-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cnn3c2OCC(C)(C)C3)cnc1C
InChIInChI=1S/C15H20N4O3S/c1-10-5-12(6-16-11(10)2)18-23(20,21)13-7-17-19-8-15(3,4)9-22-14(13)19/h5-7,18H,8-9H2,1-4H3
InChIKeyFLBIAMCBKMRSEY-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.11
Rot. Bonds3

About N-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

N-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (PubChem CID 138021265) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
PubChem CID138021265
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cnn3c2OCC(C)(C)C3)cnc1C
InChIInChI=1S/C15H20N4O3S/c1-10-5-12(6-16-11(10)2)18-23(20,21)13-7-17-19-8-15(3,4)9-22-14(13)19/h5-7,18H,8-9H2,1-4H3
InChIKeyFLBIAMCBKMRSEY-UHFFFAOYSA-N
XLogP2.11
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The IUPAC name of N-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (CID 138021265) is N-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.
What is the SMILES notation for N-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The canonical SMILES for N-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is Cc1cc(NS(=O)(=O)c2cnn3c2OCC(C)(C)C3)cnc1C.
What is the InChIKey of N-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The InChIKey is FLBIAMCBKMRSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10-5-12(6-16-11(10)2)18-23(20,21)13-7-17-19-8-15(3,4)9-22-14(13)19/h5-7,18H,8-9H2,1-4H3.
What are the key properties of N-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
N-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-3-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is sourced from PubChem (CID 138021265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).