2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane

C25H35F3N4O3S — CID 169160890

About 2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane

2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane (PubChem CID 169160890) has the molecular formula C25H35F3N4O3S and a molecular weight of 528.64 g/mol. Its IUPAC name is 2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

• Compound Name: 2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane
• PubChem CID: 169160890
• Molecular Formula: C25H35F3N4O3S
• Molecular Weight: 528.64 g/mol
• Exact Mass: 528.24
• IUPAC Name: 2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane
• SMILES: Cc1cc(C(F)(F)F)nc(C)c1S(=O)(=O)N1CC2(CN(C3CC4(C3)CN(CC3CCOCC3)C4)C2)C1
• InChI: InChI=1S/C25H35F3N4O3S/c1-17-7-21(25(26,27)28)29-18(2)22(17)36(33,34)32-15-24(16-32)13-31(14-24)20-8-23(9-20)11-30(12-23)10-19-3-5-35-6-4-19/h7,19-20H,3-6,8-16H2,1-2H3
• InChIKey: QSZQWUWNKQXPFW-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 65.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.64
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane?

The IUPAC name of 2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane (CID 169160890) is 2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane.

What is the SMILES notation for 2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane?

The canonical SMILES for 2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane is Cc1cc(C(F)(F)F)nc(C)c1S(=O)(=O)N1CC2(CN(C3CC4(C3)CN(CC3CCOCC3)C4)C2)C1.

What is the InChIKey of 2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane?

The InChIKey is QSZQWUWNKQXPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F3N4O3S/c1-17-7-21(25(26,27)28)29-18(2)22(17)36(33,34)32-15-24(16-32)13-31(14-24)20-8-23(9-20)11-30(12-23)10-19-3-5-35-6-4-19/h7,19-20H,3-6,8-16H2,1-2H3.

What are the key properties of 2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane?

2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 528.64 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-[2-(oxan-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 169160890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).