1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide

C28H32N4O6S3 — CID 157023578

About 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide (PubChem CID 157023578) has the molecular formula C28H32N4O6S3 and a molecular weight of 616.79 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide
• PubChem CID: 157023578
• Molecular Formula: C28H32N4O6S3
• Molecular Weight: 616.79 g/mol
• Exact Mass: 616.15
• IUPAC Name: 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide
• SMILES: CC1(C)C2CCC1(CS(=O)(=O)NCc1csc(CSc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n1)C(=O)C2
• InChI: InChI=1S/C28H32N4O6S3/c1-27(2)16-8-9-28(27,22(33)10-16)15-41(37,38)29-11-17-13-40-24(30-17)14-39-21-5-3-4-18-19(21)12-32(26(18)36)20-6-7-23(34)31-25(20)35/h3-5,13,16,20,29H,6-12,14-15H2,1-2H3,(H,31,34,35)
• InChIKey: LVENIKCQIVINTP-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 142.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.79
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide?

The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide (CID 157023578) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide.

What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide?

The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide is CC1(C)C2CCC1(CS(=O)(=O)NCc1csc(CSc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n1)C(=O)C2.

What is the InChIKey of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide?

The InChIKey is LVENIKCQIVINTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O6S3/c1-27(2)16-8-9-28(27,22(33)10-16)15-41(37,38)29-11-17-13-40-24(30-17)14-39-21-5-3-4-18-19(21)12-32(26(18)36)20-6-7-23(34)31-25(20)35/h3-5,13,16,20,29H,6-12,14-15H2,1-2H3,(H,31,34,35).

What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide?

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide has a molecular weight of 616.79 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-1,3-thiazol-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 157023578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).