1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide

C21H38N2O3S — CID 170275147

About 1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide

1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide (PubChem CID 170275147) has the molecular formula C21H38N2O3S and a molecular weight of 398.61 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: 1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide
• PubChem CID: 170275147
• Molecular Formula: C21H38N2O3S
• Molecular Weight: 398.61 g/mol
• Exact Mass: 398.26
• IUPAC Name: 1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide
• SMILES: C=C1CC2CCC1(CS(=O)(=O)N(C)C1CC(C)(C)N(O)C(C)(C)C1)C2(C)C
• InChI: InChI=1S/C21H38N2O3S/c1-15-11-16-9-10-21(15,20(16,6)7)14-27(25,26)22(8)17-12-18(2,3)23(24)19(4,5)13-17/h16-17,24H,1,9-14H2,2-8H3
• InChIKey: QSHQIVVPLKYMPI-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 60.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.61
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide?

The IUPAC name of 1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide (CID 170275147) is 1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide.

What is the SMILES notation for 1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide?

The canonical SMILES for 1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide is C=C1CC2CCC1(CS(=O)(=O)N(C)C1CC(C)(C)N(O)C(C)(C)C1)C2(C)C.

What is the InChIKey of 1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide?

The InChIKey is QSHQIVVPLKYMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O3S/c1-15-11-16-9-10-21(15,20(16,6)7)14-27(25,26)22(8)17-12-18(2,3)23(24)19(4,5)13-17/h16-17,24H,1,9-14H2,2-8H3.

What are the key properties of 1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide?

1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide has a molecular weight of 398.61 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 170275147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).