N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid

C15H20F3N3O5S2 — CID 155834661

About N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155834661) has the molecular formula C15H20F3N3O5S2 and a molecular weight of 443.47 g/mol. Its IUPAC name is N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155834661
• Molecular Formula: C15H20F3N3O5S2
• Molecular Weight: 443.47 g/mol
• Exact Mass: 443.08
• IUPAC Name: N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid
• SMILES: CN(C)S(=O)(=O)N1CC2(CC(Oc3cccnc3)CS2)C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C13H19N3O3S2.C2HF3O2/c1-15(2)21(17,18)16-9-13(10-16)6-12(8-20-13)19-11-4-3-5-14-7-11;3-2(4,5)1(6)7/h3-5,7,12H,6,8-10H2,1-2H3;(H,6,7)
• InChIKey: HIRVNZAMVAQLMK-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 100.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.47
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid (CID 155834661) is N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid is CN(C)S(=O)(=O)N1CC2(CC(Oc3cccnc3)CS2)C1.O=C(O)C(F)(F)F.

What is the InChIKey of N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid?

The InChIKey is HIRVNZAMVAQLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S2.C2HF3O2/c1-15(2)21(17,18)16-9-13(10-16)6-12(8-20-13)19-11-4-3-5-14-7-11;3-2(4,5)1(6)7/h3-5,7,12H,6,8-10H2,1-2H3;(H,6,7).

What are the key properties of N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid?

N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 443.47 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155834661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).