[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone

C19H22N2O3S — CID 97419504

IUPAC[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1
InChIInChI=1S/C19H22N2O3S/c22-18(16-4-8-25-13-16)21-7-2-5-19(14-21)9-17(12-24-19)23-11-15-3-1-6-20-10-15/h1,3-4,6,8,10,13,17H,2,5,7,9,11-12,14H2/t17-,19+/m1/s1
InChIKeySSLVBSNEYARPLO-MJGOQNOKSA-N
MW358.46 g/mol
LogP3.12
Rot. Bonds4

About [(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone

[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone (PubChem CID 97419504) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is [(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
PubChem CID97419504
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1
InChIInChI=1S/C19H22N2O3S/c22-18(16-4-8-25-13-16)21-7-2-5-19(14-21)9-17(12-24-19)23-11-15-3-1-6-20-10-15/h1,3-4,6,8,10,13,17H,2,5,7,9,11-12,14H2/t17-,19+/m1/s1
InChIKeySSLVBSNEYARPLO-MJGOQNOKSA-N
XLogP3.12
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155830003
[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone
CID 97419526
cyclopropyl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419741
pyridin-2-yl-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155845724
pyridin-2-yl-[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 171693394
pyridin-3-yl-[(3S)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418982
phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418986
[(3S,5S)-3-prop-2-enoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97489662
(3-methyl-1,2-oxazol-5-yl)-[(3S,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;2,2,2-trifluoroacetic acid
CID 155852925
(3-imidazol-1-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-thiophen-3-ylmethanone
CID 134075043
(1-methylpyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131659490
N-methyl-2-[[9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 134078949

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone (CID 97419504) is [(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1.
What is the InChIKey of [(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone?
The InChIKey is SSLVBSNEYARPLO-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-18(16-4-8-25-13-16)21-7-2-5-19(14-21)9-17(12-24-19)23-11-15-3-1-6-20-10-15/h1,3-4,6,8,10,13,17H,2,5,7,9,11-12,14H2/t17-,19+/m1/s1.
What are the key properties of [(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone?
[(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone has a molecular weight of 358.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-(pyridin-3-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97419504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).