N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide

C38H62N6O7S — CID 90873991

About N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide

N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide (PubChem CID 90873991) has the molecular formula C38H62N6O7S and a molecular weight of 747.02 g/mol. Its IUPAC name is N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide.

Molecular Properties

• Compound Name: N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide
• PubChem CID: 90873991
• Molecular Formula: C38H62N6O7S
• Molecular Weight: 747.02 g/mol
• Exact Mass: 746.44
• IUPAC Name: N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide
• SMILES: C=CC1CC1(NC(=O)C1CC2(CN1C(=O)C(NC(=O)C(N1CCCC1O)C(C)(C)C)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
• InChI: InChI=1S/C38H62N6O7S/c1-10-24-21-38(24,32(49)41-52(50,51)42-18-11-12-19-42)40-29(46)25-22-37(35(8,9)36(37)16-14-17-36)23-44(25)31(48)27(33(2,3)4)39-30(47)28(34(5,6)7)43-20-13-15-26(43)45/h10,24-28,45H,1,11-23H2,2-9H3,(H,39,47)(H,40,46)(H,41,49)
• InChIKey: KBZVGQNNAOJDRC-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 168.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	747.02
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?

The IUPAC name of N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide (CID 90873991) is N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide.

What is the SMILES notation for N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?

The canonical SMILES for N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide is C=CC1CC1(NC(=O)C1CC2(CN1C(=O)C(NC(=O)C(N1CCCC1O)C(C)(C)C)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1.

What is the InChIKey of N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?

The InChIKey is KBZVGQNNAOJDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H62N6O7S/c1-10-24-21-38(24,32(49)41-52(50,51)42-18-11-12-19-42)40-29(46)25-22-37(35(8,9)36(37)16-14-17-36)23-44(25)31(48)27(33(2,3)4)39-30(47)28(34(5,6)7)43-20-13-15-26(43)45/h10,24-28,45H,1,11-23H2,2-9H3,(H,39,47)(H,40,46)(H,41,49).

What are the key properties of N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide?

N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide has a molecular weight of 747.02 g/mol, XLogP of 2.66, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]-7-[2-[[2-(2-hydroxypyrrolidin-1-yl)-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-8-carboxamide is sourced from PubChem (CID 90873991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).