4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C27H30N4O3S2 — CID 58215294

About 4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 58215294) has the molecular formula C27H30N4O3S2 and a molecular weight of 522.70 g/mol. Its IUPAC name is 4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 58215294
• Molecular Formula: C27H30N4O3S2
• Molecular Weight: 522.70 g/mol
• Exact Mass: 522.18
• IUPAC Name: 4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: Cc1ccc2c(c1)C1(CCNCC1)CC2[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O
• InChI: InChI=1S/C27H30N4O3S2/c1-18-2-7-21-23(17-27(24(21)16-18)9-11-28-12-10-27)22-8-14-31(25(22)32)19-3-5-20(6-4-19)36(33,34)30-26-29-13-15-35-26/h2-7,13,15-16,22-23,28H,8-12,14,17H2,1H3,(H,29,30)/t22-,23?/m1/s1
• InChIKey: ICOAYUFXWGUDJE-WTQRLHSKSA-N
• XLogP: 4.41
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.70
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 58215294) is 4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1ccc2c(c1)C1(CCNCC1)CC2[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.

What is the InChIKey of 4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is ICOAYUFXWGUDJE-WTQRLHSKSA-N. The full InChI is InChI=1S/C27H30N4O3S2/c1-18-2-7-21-23(17-27(24(21)16-18)9-11-28-12-10-27)22-8-14-31(25(22)32)19-3-5-20(6-4-19)36(33,34)30-26-29-13-15-35-26/h2-7,13,15-16,22-23,28H,8-12,14,17H2,1H3,(H,29,30)/t22-,23?/m1/s1.

What are the key properties of 4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 522.70 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-3-(5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 58215294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).