5-(sulfinatoamino)quinoxaline

C8H6N3O2S- — CID 91575411

IUPAC5-(sulfinatoamino)quinoxaline
SMILESO=S([O-])Nc1cccc2nccnc12
InChIInChI=1S/C8H7N3O2S/c12-14(13)11-7-3-1-2-6-8(7)10-5-4-9-6/h1-5,11H,(H,12,13)/p-1
InChIKeySIQOJZDHFYQGTB-UHFFFAOYSA-M
MW208.22 g/mol
LogP0.84
Rot. Bonds2

About 5-(sulfinatoamino)quinoxaline

5-(sulfinatoamino)quinoxaline (PubChem CID 91575411) has the molecular formula C8H6N3O2S- and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-(sulfinatoamino)quinoxaline.

Molecular Properties

Compound Name5-(sulfinatoamino)quinoxaline
PubChem CID91575411
Molecular FormulaC8H6N3O2S-
Molecular Weight208.22 g/mol
Exact Mass208.02
IUPAC Name5-(sulfinatoamino)quinoxaline
SMILESO=S([O-])Nc1cccc2nccnc12
InChIInChI=1S/C8H7N3O2S/c12-14(13)11-7-3-1-2-6-8(7)10-5-4-9-6/h1-5,11H,(H,12,13)/p-1
InChIKeySIQOJZDHFYQGTB-UHFFFAOYSA-M
XLogP0.84
TPSA77.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(sulfinatoamino)quinoxaline?
The IUPAC name of 5-(sulfinatoamino)quinoxaline (CID 91575411) is 5-(sulfinatoamino)quinoxaline.
What is the SMILES notation for 5-(sulfinatoamino)quinoxaline?
The canonical SMILES for 5-(sulfinatoamino)quinoxaline is O=S([O-])Nc1cccc2nccnc12.
What is the InChIKey of 5-(sulfinatoamino)quinoxaline?
The InChIKey is SIQOJZDHFYQGTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7N3O2S/c12-14(13)11-7-3-1-2-6-8(7)10-5-4-9-6/h1-5,11H,(H,12,13)/p-1.
What are the key properties of 5-(sulfinatoamino)quinoxaline?
5-(sulfinatoamino)quinoxaline has a molecular weight of 208.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(sulfinatoamino)quinoxaline is sourced from PubChem (CID 91575411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).