4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine

C16H19N3O3S — CID 146144084

IUPAC4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCOc3ccncc32)cn1
InChIInChI=1S/C16H19N3O3S/c1-16(2,3)15-5-4-12(10-18-15)23(20,21)19-8-9-22-14-6-7-17-11-13(14)19/h4-7,10-11H,8-9H2,1-3H3
InChIKeyWJTJQKHFGZPGPM-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.36
Rot. Bonds2

About 4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine

4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine (PubChem CID 146144084) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine
PubChem CID146144084
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCOc3ccncc32)cn1
InChIInChI=1S/C16H19N3O3S/c1-16(2,3)15-5-4-12(10-18-15)23(20,21)19-8-9-22-14-6-7-17-11-13(14)19/h4-7,10-11H,8-9H2,1-3H3
InChIKeyWJTJQKHFGZPGPM-UHFFFAOYSA-N
XLogP2.36
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine?
The IUPAC name of 4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine (CID 146144084) is 4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for 4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine?
The canonical SMILES for 4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine is CC(C)(C)c1ccc(S(=O)(=O)N2CCOc3ccncc32)cn1.
What is the InChIKey of 4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine?
The InChIKey is WJTJQKHFGZPGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-16(2,3)15-5-4-12(10-18-15)23(20,21)19-8-9-22-14-6-7-17-11-13(14)19/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine?
4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine has a molecular weight of 333.41 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-tert-butyl-3-pyridinyl)sulfonyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 146144084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).