1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione

C18H22N4O5S2 — CID 30864283

About 1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione

1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione (PubChem CID 30864283) has the molecular formula C18H22N4O5S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
• PubChem CID: 30864283
• Molecular Formula: C18H22N4O5S2
• Molecular Weight: 438.53 g/mol
• Exact Mass: 438.10
• IUPAC Name: 1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
• SMILES: O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1
• InChI: InChI=1S/C18H22N4O5S2/c23-15-4-1-5-16(24)22(15)10-12-29(25,26)21-8-6-13(7-9-21)17-19-20-18(28-17)14-3-2-11-27-14/h2-3,11,13H,1,4-10,12H2
• InChIKey: FAMRHZIDKVWCMT-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 113.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?

The IUPAC name of 1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione (CID 30864283) is 1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione.

What is the SMILES notation for 1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?

The canonical SMILES for 1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCS(=O)(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1.

What is the InChIKey of 1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?

The InChIKey is FAMRHZIDKVWCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S2/c23-15-4-1-5-16(24)22(15)10-12-29(25,26)21-8-6-13(7-9-21)17-19-20-18(28-17)14-3-2-11-27-14/h2-3,11,13H,1,4-10,12H2.

What are the key properties of 1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione?

1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione has a molecular weight of 438.53 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione is sourced from PubChem (CID 30864283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).