2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane

C17H25NO3S — CID 131677492

IUPAC2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
SMILESc1coc(CN2CC3(CC(OCC4CCOCC4)CS3)C2)c1
InChIInChI=1S/C17H25NO3S/c1-2-15(20-5-1)9-18-12-17(13-18)8-16(11-22-17)21-10-14-3-6-19-7-4-14/h1-2,5,14,16H,3-4,6-13H2
InChIKeyQHMUWHRXAFOIBW-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.78
Rot. Bonds5

About 2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane

2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane (PubChem CID 131677492) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
PubChem CID131677492
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
SMILESc1coc(CN2CC3(CC(OCC4CCOCC4)CS3)C2)c1
InChIInChI=1S/C17H25NO3S/c1-2-15(20-5-1)9-18-12-17(13-18)8-16(11-22-17)21-10-14-3-6-19-7-4-14/h1-2,5,14,16H,3-4,6-13H2
InChIKeyQHMUWHRXAFOIBW-UHFFFAOYSA-N
XLogP2.78
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677540
2-[(2-fluorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131640262
(7S)-2-[(2-fluorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 124783024
(7R)-7-(oxan-4-ylmethoxy)-2-(pyridin-4-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 124788879
2-[(3-chlorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677612
2-[(3-fluorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677549
2-cyclopentyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677496
(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 124782365
(7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 124799097
2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131663105
2-[(3-fluorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155859653
(3,5-dimethylphenyl)-[(7R)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124796560

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane (CID 131677492) is 2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane is c1coc(CN2CC3(CC(OCC4CCOCC4)CS3)C2)c1.
What is the InChIKey of 2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
The InChIKey is QHMUWHRXAFOIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-2-15(20-5-1)9-18-12-17(13-18)8-16(11-22-17)21-10-14-3-6-19-7-4-14/h1-2,5,14,16H,3-4,6-13H2.
What are the key properties of 2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane?
2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane has a molecular weight of 323.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 131677492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).