4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide

C25H35N5O7S — CID 170639059

About 4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide

4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide (PubChem CID 170639059) has the molecular formula C25H35N5O7S and a molecular weight of 549.65 g/mol. Its IUPAC name is 4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide.

Molecular Properties

• Compound Name: 4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide
• PubChem CID: 170639059
• Molecular Formula: C25H35N5O7S
• Molecular Weight: 549.65 g/mol
• Exact Mass: 549.23
• IUPAC Name: 4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide
• SMILES: NC1CCN(S(=O)NCCOCCOCCCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
• InChI: InChI=1S/C25H35N5O7S/c26-18-8-11-29(12-9-18)38(35)27-10-14-37-16-15-36-13-2-4-17-3-1-5-19-22(17)25(34)30(24(19)33)20-6-7-21(31)28-23(20)32/h1,3,5,18,20,27H,2,4,6-16,26H2,(H,28,31,32)
• InChIKey: MGLKDHHFIBIIIO-UHFFFAOYSA-N
• XLogP: -0.35
• TPSA: 160.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.65
LogP ≤ 5	-0.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide?

The IUPAC name of 4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide (CID 170639059) is 4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide.

What is the SMILES notation for 4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide?

The canonical SMILES for 4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide is NC1CCN(S(=O)NCCOCCOCCCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.

What is the InChIKey of 4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide?

The InChIKey is MGLKDHHFIBIIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O7S/c26-18-8-11-29(12-9-18)38(35)27-10-14-37-16-15-36-13-2-4-17-3-1-5-19-22(17)25(34)30(24(19)33)20-6-7-21(31)28-23(20)32/h1,3,5,18,20,27H,2,4,6-16,26H2,(H,28,31,32).

What are the key properties of 4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide?

4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide has a molecular weight of 549.65 g/mol, XLogP of -0.35, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]piperidine-1-sulfinamide is sourced from PubChem (CID 170639059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).