N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid

C17H24F3N3O6S — CID 155852804

About N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155852804) has the molecular formula C17H24F3N3O6S and a molecular weight of 455.46 g/mol. Its IUPAC name is N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155852804
• Molecular Formula: C17H24F3N3O6S
• Molecular Weight: 455.46 g/mol
• Exact Mass: 455.13
• IUPAC Name: N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid
• SMILES: CN(C)S(=O)(=O)N1CCC2(CC1)CC(Oc1cccnc1)CO2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C15H23N3O4S.C2HF3O2/c1-17(2)23(19,20)18-8-5-15(6-9-18)10-14(12-21-15)22-13-4-3-7-16-11-13;3-2(4,5)1(6)7/h3-4,7,11,14H,5-6,8-10,12H2,1-2H3;(H,6,7)
• InChIKey: TZLPTNBMYXIIJI-UHFFFAOYSA-N
• XLogP: 1.52
• TPSA: 109.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.46
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid (CID 155852804) is N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid is CN(C)S(=O)(=O)N1CCC2(CC1)CC(Oc1cccnc1)CO2.O=C(O)C(F)(F)F.

What is the InChIKey of N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid?

The InChIKey is TZLPTNBMYXIIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.C2HF3O2/c1-17(2)23(19,20)18-8-5-15(6-9-18)10-14(12-21-15)22-13-4-3-7-16-11-13;3-2(4,5)1(6)7/h3-4,7,11,14H,5-6,8-10,12H2,1-2H3;(H,6,7).

What are the key properties of N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid?

N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 455.46 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155852804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).