2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

C17H23F3N2O6S — CID 155865494

IUPAC2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESCCCS(=O)(=O)N1CC2(CC(Oc3ccccn3)CCO2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N2O4S.C2HF3O2/c1-2-9-22(18,19)17-11-15(12-17)10-13(6-8-20-15)21-14-5-3-4-7-16-14;3-2(4,5)1(6)7/h3-5,7,13H,2,6,8-12H2,1H3;(H,6,7)
InChIKeyXAQFOTQRYNHZII-UHFFFAOYSA-N
MW440.44 g/mol
LogP2.07
Rot. Bonds5

About 2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (PubChem CID 155865494) has the molecular formula C17H23F3N2O6S and a molecular weight of 440.44 g/mol. Its IUPAC name is 2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
PubChem CID155865494
Molecular FormulaC17H23F3N2O6S
Molecular Weight440.44 g/mol
Exact Mass440.12
IUPAC Name2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESCCCS(=O)(=O)N1CC2(CC(Oc3ccccn3)CCO2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N2O4S.C2HF3O2/c1-2-9-22(18,19)17-11-15(12-17)10-13(6-8-20-15)21-14-5-3-4-7-16-14;3-2(4,5)1(6)7/h3-5,7,13H,2,6,8-12H2,1H3;(H,6,7)
InChIKeyXAQFOTQRYNHZII-UHFFFAOYSA-N
XLogP2.07
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-one;2,2,2-trifluoroacetic acid
CID 155868688
2-cyclopropyl-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155869247
2-[(1-ethylpyrazol-4-yl)methyl]-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 171695335
(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)-(thian-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155839005
2-[(4-methyl-1,3-thiazol-5-yl)methyl]-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155862353
2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131692753
(2-methoxy-3-pyridinyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155827055
8-pyridin-2-yloxy-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155830645
2-methyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131641036
2-ethylsulfonyl-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155860853
2-propylsulfonyl-8-(pyridin-2-yloxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide;2,2,2-trifluoroacetic acid
CID 155859813
(8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124779208

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (CID 155865494) is 2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is CCCS(=O)(=O)N1CC2(CC(Oc3ccccn3)CCO2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The InChIKey is XAQFOTQRYNHZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S.C2HF3O2/c1-2-9-22(18,19)17-11-15(12-17)10-13(6-8-20-15)21-14-5-3-4-7-16-14;3-2(4,5)1(6)7/h3-5,7,13H,2,6,8-12H2,1H3;(H,6,7).
What are the key properties of 2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid has a molecular weight of 440.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155865494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).