N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid

C20H28IN3O4S — CID 153392033

About N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid

N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid (PubChem CID 153392033) has the molecular formula C20H28IN3O4S and a molecular weight of 533.43 g/mol. Its IUPAC name is N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid.

Molecular Properties

• Compound Name: N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid
• PubChem CID: 153392033
• Molecular Formula: C20H28IN3O4S
• Molecular Weight: 533.43 g/mol
• Exact Mass: 533.08
• IUPAC Name: N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid
• SMILES: CCNC1CCCC1.O=C1CCC(N2Cc3cc(O)ccc3C2=O)C(=O)N1.SI
• InChI: InChI=1S/C13H12N2O4.C7H15N.HIS/c16-8-1-2-9-7(5-8)6-15(13(9)19)10-3-4-11(17)14-12(10)18;1-2-8-7-5-3-4-6-7;1-2/h1-2,5,10,16H,3-4,6H2,(H,14,17,18);7-8H,2-6H2,1H3;2H
• InChIKey: OYCJFPNMIZXSAX-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 98.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.43
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid?

The IUPAC name of N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid (CID 153392033) is N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid.

What is the SMILES notation for N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid?

The canonical SMILES for N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid is CCNC1CCCC1.O=C1CCC(N2Cc3cc(O)ccc3C2=O)C(=O)N1.SI.

What is the InChIKey of N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid?

The InChIKey is OYCJFPNMIZXSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4.C7H15N.HIS/c16-8-1-2-9-7(5-8)6-15(13(9)19)10-3-4-11(17)14-12(10)18;1-2-8-7-5-3-4-6-7;1-2/h1-2,5,10,16H,3-4,6H2,(H,14,17,18);7-8H,2-6H2,1H3;2H.

What are the key properties of N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid?

N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid has a molecular weight of 533.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid is sourced from PubChem (CID 153392033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).