4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione

C37H39N5O10S35 — CID 159275142

About 4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione

4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione (PubChem CID 159275142) has the molecular formula C37H39N5O10S35 and a molecular weight of 1836.09 g/mol. Its IUPAC name is 4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione
• PubChem CID: 159275142
• Molecular Formula: C37H39N5O10S35
• Molecular Weight: 1836.09 g/mol
• Exact Mass: 1832.29
• IUPAC Name: 4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione
• SMILES: CCCOCC#Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.NCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S
• InChI: InChI=1S/C19H18N2O5.C18H21N3O5.S35/c1-2-10-26-11-4-6-12-5-3-7-13-16(12)19(25)21(18(13)24)14-8-9-15(22)20-17(14)23;19-8-10-26-9-2-4-11-3-1-5-12-15(11)18(25)21(17(12)24)13-6-7-14(22)20-16(13)23;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,5,7,14H,2,8-11H2,1H3,(H,20,22,23);1,3,5,13H,2,4,6-10,19H2,(H,20,22,23)
• InChIKey: KYFDXHYWGHZOAO-UHFFFAOYSA-N
• XLogP: 0.78
• TPSA: 211.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1836.09
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione?

The IUPAC name of 4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione (CID 159275142) is 4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione.

What is the SMILES notation for 4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione?

The canonical SMILES for 4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione is CCCOCC#Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.NCCOCCCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.

What is the InChIKey of 4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione?

The InChIKey is KYFDXHYWGHZOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5.C18H21N3O5.S35/c1-2-10-26-11-4-6-12-5-3-7-13-16(12)19(25)21(18(13)24)14-8-9-15(22)20-17(14)23;19-8-10-26-9-2-4-11-3-1-5-12-15(11)18(25)21(17(12)24)13-6-7-14(22)20-16(13)23;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,5,7,14H,2,8-11H2,1H3,(H,20,22,23);1,3,5,13H,2,4,6-10,19H2,(H,20,22,23);.

What are the key properties of 4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione?

4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione has a molecular weight of 1836.09 g/mol, XLogP of 0.78, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(2-aminoethoxy)propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;bis[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-(2,6-dioxopiperidin-3-yl)-4-(3-propoxyprop-1-ynyl)isoindole-1,3-dione is sourced from PubChem (CID 159275142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).