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

C17H24F3N3O6S — CID 118743962

IUPACN,N-dimethyl-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCN(C)S(=O)(=O)N1CCC2(CC1)CC(Oc1ccccn1)CO2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3O4S.C2HF3O2/c1-17(2)23(19,20)18-9-6-15(7-10-18)11-13(12-21-15)22-14-5-3-4-8-16-14;3-2(4,5)1(6)7/h3-5,8,13H,6-7,9-12H2,1-2H3;(H,6,7)
InChIKeyUNRSVLXHIRAUMB-UHFFFAOYSA-N
MW455.46 g/mol
LogP1.52
Rot. Bonds4

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

N,N-dimethyl-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 118743962) has the molecular formula C17H24F3N3O6S and a molecular weight of 455.46 g/mol. Its IUPAC name is N,N-dimethyl-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID118743962
Molecular FormulaC17H24F3N3O6S
Molecular Weight455.46 g/mol
Exact Mass455.13
IUPAC NameN,N-dimethyl-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid
SMILESCN(C)S(=O)(=O)N1CCC2(CC1)CC(Oc1ccccn1)CO2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3O4S.C2HF3O2/c1-17(2)23(19,20)18-9-6-15(7-10-18)11-13(12-21-15)22-14-5-3-4-8-16-14;3-2(4,5)1(6)7/h3-5,8,13H,6-7,9-12H2,1-2H3;(H,6,7)
InChIKeyUNRSVLXHIRAUMB-UHFFFAOYSA-N
XLogP1.52
TPSA109.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid (CID 118743962) is N,N-dimethyl-3-pyridin-2-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-2-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid is CN(C)S(=O)(=O)N1CCC2(CC1)CC(Oc1ccccn1)CO2.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is UNRSVLXHIRAUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.C2HF3O2/c1-17(2)23(19,20)18-9-6-15(7-10-18)11-13(12-21-15)22-14-5-3-4-8-16-14;3-2(4,5)1(6)7/h3-5,8,13H,6-7,9-12H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-3-pyridin-2-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-2-yloxy-1-oxa-8-azaspiro[4.5]decane-8-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).