(8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane

C17H19N3O4S — CID 124779208

IUPAC(8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
SMILESO=S(=O)(c1cccnc1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1
InChIInChI=1S/C17H19N3O4S/c21-25(22,15-4-3-7-18-11-15)20-12-17(13-20)10-14(6-9-23-17)24-16-5-1-2-8-19-16/h1-5,7-8,11,14H,6,9-10,12-13H2/t14-/m1/s1
InChIKeyFHFLRORLTXFZDC-CQSZACIVSA-N
MW361.42 g/mol
LogP1.48
Rot. Bonds4

About (8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane

(8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124779208) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is (8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124779208
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name(8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane
SMILESO=S(=O)(c1cccnc1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1
InChIInChI=1S/C17H19N3O4S/c21-25(22,15-4-3-7-18-11-15)20-12-17(13-20)10-14(6-9-23-17)24-16-5-1-2-8-19-16/h1-5,7-8,11,14H,6,9-10,12-13H2/t14-/m1/s1
InChIKeyFHFLRORLTXFZDC-CQSZACIVSA-N
XLogP1.48
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-propan-2-ylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131692753
2-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxypyridine
CID 122247345
(8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124811015
2-methyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131641036
cyclopent-3-en-1-yl-[(8S)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124787557
2-propylsulfonyl-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155865494
(8R)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124911109
(3-fluorocyclobutyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131692751
2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 131648181
2-(2-methylphenyl)-1-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124821943
7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
CID 155880374
(4-methoxyphenyl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131655355

Frequently Asked Questions

What is the IUPAC name of (8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane (CID 124779208) is (8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane is O=S(=O)(c1cccnc1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1.
What is the InChIKey of (8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is FHFLRORLTXFZDC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-25(22,15-4-3-7-18-11-15)20-12-17(13-20)10-14(6-9-23-17)24-16-5-1-2-8-19-16/h1-5,7-8,11,14H,6,9-10,12-13H2/t14-/m1/s1.
What are the key properties of (8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane?
(8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 361.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-pyridin-2-yloxy-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124779208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).