6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite

C19H22IN3O5S — CID 169150145

About 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite

6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite (PubChem CID 169150145) has the molecular formula C19H22IN3O5S and a molecular weight of 531.37 g/mol. Its IUPAC name is 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite.

Molecular Properties

• Compound Name: 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite
• PubChem CID: 169150145
• Molecular Formula: C19H22IN3O5S
• Molecular Weight: 531.37 g/mol
• Exact Mass: 531.03
• IUPAC Name: 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite
• SMILES: O=C1CCC(N2C(=O)c3ccc(NCCCCCCOSI)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C19H22IN3O5S/c20-29-28-10-4-2-1-3-9-21-12-5-6-13-14(11-12)19(27)23(18(13)26)15-7-8-16(24)22-17(15)25/h5-6,11,15,21H,1-4,7-10H2,(H,22,24,25)
• InChIKey: QLTVIDUFLDWEHR-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.37
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite?

The IUPAC name of 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite (CID 169150145) is 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite.

What is the SMILES notation for 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite?

The canonical SMILES for 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite is O=C1CCC(N2C(=O)c3ccc(NCCCCCCOSI)cc3C2=O)C(=O)N1.

What is the InChIKey of 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite?

The InChIKey is QLTVIDUFLDWEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22IN3O5S/c20-29-28-10-4-2-1-3-9-21-12-5-6-13-14(11-12)19(27)23(18(13)26)15-7-8-16(24)22-17(15)25/h5-6,11,15,21H,1-4,7-10H2,(H,22,24,25).

What are the key properties of 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite?

6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite has a molecular weight of 531.37 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexoxy thiohypoiodite is sourced from PubChem (CID 169150145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).