6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one

C15H18N2O2S — CID 83267477

IUPAC6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(C2CC3CCC2O3)C(c2cccs2)NC12CC2
InChIInChI=1S/C15H18N2O2S/c18-14-15(5-6-15)16-13(12-2-1-7-20-12)17(14)10-8-9-3-4-11(10)19-9/h1-2,7,9-11,13,16H,3-6,8H2
InChIKeyBGVJUFNMUWKZPA-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.03
Rot. Bonds2

About 6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one

6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83267477) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83267477
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(C2CC3CCC2O3)C(c2cccs2)NC12CC2
InChIInChI=1S/C15H18N2O2S/c18-14-15(5-6-15)16-13(12-2-1-7-20-12)17(14)10-8-9-3-4-11(10)19-9/h1-2,7,9-11,13,16H,3-6,8H2
InChIKeyBGVJUFNMUWKZPA-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83267477) is 6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is O=C1N(C2CC3CCC2O3)C(c2cccs2)NC12CC2.
What is the InChIKey of 6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is BGVJUFNMUWKZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-14-15(5-6-15)16-13(12-2-1-7-20-12)17(14)10-8-9-3-4-11(10)19-9/h1-2,7,9-11,13,16H,3-6,8H2.
What are the key properties of 6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 290.39 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83267477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).