furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone

C16H16N2O3S — CID 131656106

IUPACfuran-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
SMILESO=C(c1ccoc1)N1CC2(CC(Oc3ccccn3)CS2)C1
InChIInChI=1S/C16H16N2O3S/c19-15(12-4-6-20-8-12)18-10-16(11-18)7-13(9-22-16)21-14-3-1-2-5-17-14/h1-6,8,13H,7,9-11H2
InChIKeySWIUXZAJTUDVMR-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.45
Rot. Bonds3

About furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone

furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (PubChem CID 131656106) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Namefuran-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
PubChem CID131656106
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Namefuran-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
SMILESO=C(c1ccoc1)N1CC2(CC(Oc3ccccn3)CS2)C1
InChIInChI=1S/C16H16N2O3S/c19-15(12-4-6-20-8-12)18-10-16(11-18)7-13(9-22-16)21-14-3-1-2-5-17-14/h1-6,8,13H,7,9-11H2
InChIKeySWIUXZAJTUDVMR-UHFFFAOYSA-N
XLogP2.45
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-methylfuran-2-yl)-[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124893626
[(7S)-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-4-ylmethanone
CID 124791057
(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,3-thiazol-4-yl)methanone
CID 131652969
2-methyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)propan-1-one
CID 131692273
2-cyclopropyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone
CID 131692274
(3-hydroxyphenyl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155863891
(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 131692142
(5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131692404
2-methyl-1-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 155859941
(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-quinolin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155848264
(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155860395
(7S)-2-ethylsulfonyl-7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octane
CID 124895940

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (CID 131656106) is furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is O=C(c1ccoc1)N1CC2(CC(Oc3ccccn3)CS2)C1.
What is the InChIKey of furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
The InChIKey is SWIUXZAJTUDVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-15(12-4-6-20-8-12)18-10-16(11-18)7-13(9-22-16)21-14-3-1-2-5-17-14/h1-6,8,13H,7,9-11H2.
What are the key properties of furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?
furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone has a molecular weight of 316.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 131656106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).