(5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide

C46H75N7O8S — CID 59533266

About (5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide

(5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide (PubChem CID 59533266) has the molecular formula C46H75N7O8S and a molecular weight of 886.21 g/mol. Its IUPAC name is (5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide.

Molecular Properties

• Compound Name: (5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide
• PubChem CID: 59533266
• Molecular Formula: C46H75N7O8S
• Molecular Weight: 886.21 g/mol
• Exact Mass: 885.54
• IUPAC Name: (5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide
• SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1CC)C1CCCCC1)C1(C)CCOCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC
• InChI: InChI=1S/C46H75N7O8S/c1-8-32-28-46(32,41(58)50-62(59,60)52(10-3)11-4)49-38(55)34-29-45(42(5,6)44(45)21-17-22-44)30-53(34)40(57)36(43(7)23-26-61-27-24-43)48-39(56)35(31-18-13-12-14-19-31)47-37(54)33-20-15-16-25-51(33)9-2/h8,31-36H,1,9-30H2,2-7H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t32-,33+,34+,35+,36-,45-,46-/m1/s1
• InChIKey: GZPOQDPGYRPDKE-KACXIZFUSA-N
• XLogP: 3.79
• TPSA: 186.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	886.21
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?

The IUPAC name of (5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide (CID 59533266) is (5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide.

What is the SMILES notation for (5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?

The canonical SMILES for (5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide is C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1CC)C1CCCCC1)C1(C)CCOCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC.

What is the InChIKey of (5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?

The InChIKey is GZPOQDPGYRPDKE-KACXIZFUSA-N. The full InChI is InChI=1S/C46H75N7O8S/c1-8-32-28-46(32,41(58)50-62(59,60)52(10-3)11-4)49-38(55)34-29-45(42(5,6)44(45)21-17-22-44)30-53(34)40(57)36(43(7)23-26-61-27-24-43)48-39(56)35(31-18-13-12-14-19-31)47-37(54)33-20-15-16-25-51(33)9-2/h8,31-36H,1,9-30H2,2-7H3,(H,47,54)(H,48,56)(H,49,55)(H,50,58)/t32-,33+,34+,35+,36-,45-,46-/m1/s1.

What are the key properties of (5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?

(5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide has a molecular weight of 886.21 g/mol, XLogP of 3.79, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,8S)-7-[(2S)-2-[[(2S)-2-cyclohexyl-2-[[(2S)-1-ethylpiperidine-2-carbonyl]amino]acetyl]amino]-2-(4-methyloxan-4-yl)acetyl]-N-[(1R,2S)-1-(diethylsulfamoylcarbamoyl)-2-ethenylcyclopropyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide is sourced from PubChem (CID 59533266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).