5-(azetidin-1-ylsulfonyl)quinoxaline

C11H11N3O2S — CID 173009481

IUPAC5-(azetidin-1-ylsulfonyl)quinoxaline
SMILESO=S(=O)(c1cccc2nccnc12)N1CCC1
InChIInChI=1S/C11H11N3O2S/c15-17(16,14-7-2-8-14)10-4-1-3-9-11(10)13-6-5-12-9/h1,3-6H,2,7-8H2
InChIKeyQRYHNYKAROFVMR-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.02
Rot. Bonds2

About 5-(azetidin-1-ylsulfonyl)quinoxaline

5-(azetidin-1-ylsulfonyl)quinoxaline (PubChem CID 173009481) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 5-(azetidin-1-ylsulfonyl)quinoxaline.

Molecular Properties

Compound Name5-(azetidin-1-ylsulfonyl)quinoxaline
PubChem CID173009481
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name5-(azetidin-1-ylsulfonyl)quinoxaline
SMILESO=S(=O)(c1cccc2nccnc12)N1CCC1
InChIInChI=1S/C11H11N3O2S/c15-17(16,14-7-2-8-14)10-4-1-3-9-11(10)13-6-5-12-9/h1,3-6H,2,7-8H2
InChIKeyQRYHNYKAROFVMR-UHFFFAOYSA-N
XLogP1.02
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-ylsulfonyl)quinoxaline?
The IUPAC name of 5-(azetidin-1-ylsulfonyl)quinoxaline (CID 173009481) is 5-(azetidin-1-ylsulfonyl)quinoxaline.
What is the SMILES notation for 5-(azetidin-1-ylsulfonyl)quinoxaline?
The canonical SMILES for 5-(azetidin-1-ylsulfonyl)quinoxaline is O=S(=O)(c1cccc2nccnc12)N1CCC1.
What is the InChIKey of 5-(azetidin-1-ylsulfonyl)quinoxaline?
The InChIKey is QRYHNYKAROFVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-17(16,14-7-2-8-14)10-4-1-3-9-11(10)13-6-5-12-9/h1,3-6H,2,7-8H2.
What are the key properties of 5-(azetidin-1-ylsulfonyl)quinoxaline?
5-(azetidin-1-ylsulfonyl)quinoxaline has a molecular weight of 249.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-ylsulfonyl)quinoxaline is sourced from PubChem (CID 173009481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).