N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide

C23H36N6O3S — CID 169104531

About N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide

N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide (PubChem CID 169104531) has the molecular formula C23H36N6O3S and a molecular weight of 476.65 g/mol. Its IUPAC name is N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide
• PubChem CID: 169104531
• Molecular Formula: C23H36N6O3S
• Molecular Weight: 476.65 g/mol
• Exact Mass: 476.26
• IUPAC Name: N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide
• SMILES: CC(C)(C)CS(=O)(=O)NC1CC2(C1)CN(C(=O)N1CC3(CC(c4n[nH]c(C5CC5)n4)C3)C1)C2
• InChI: InChI=1S/C23H36N6O3S/c1-21(2,3)14-33(31,32)27-17-8-23(9-17)12-29(13-23)20(30)28-10-22(11-28)6-16(7-22)19-24-18(25-26-19)15-4-5-15/h15-17,27H,4-14H2,1-3H3,(H,24,25,26)
• InChIKey: PRGMUFZEJZOTPJ-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 111.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.65
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide?

The IUPAC name of N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide (CID 169104531) is N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide.

What is the SMILES notation for N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide?

The canonical SMILES for N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide is CC(C)(C)CS(=O)(=O)NC1CC2(C1)CN(C(=O)N1CC3(CC(c4n[nH]c(C5CC5)n4)C3)C1)C2.

What is the InChIKey of N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide?

The InChIKey is PRGMUFZEJZOTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O3S/c1-21(2,3)14-33(31,32)27-17-8-23(9-17)12-29(13-23)20(30)28-10-22(11-28)6-16(7-22)19-24-18(25-26-19)15-4-5-15/h15-17,27H,4-14H2,1-3H3,(H,24,25,26).

What are the key properties of N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide?

N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 476.65 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[3.3]heptane-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 169104531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).