6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one

C15H20N2O2S — CID 83247853

IUPAC6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(CC2CCCCO2)C(c2ccsc2)NC12CC2
InChIInChI=1S/C15H20N2O2S/c18-14-15(5-6-15)16-13(11-4-8-20-10-11)17(14)9-12-3-1-2-7-19-12/h4,8,10,12-13,16H,1-3,5-7,9H2
InChIKeyOUHYPIYZDTZTQR-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.28
Rot. Bonds3

About 6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one

6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83247853) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83247853
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(CC2CCCCO2)C(c2ccsc2)NC12CC2
InChIInChI=1S/C15H20N2O2S/c18-14-15(5-6-15)16-13(11-4-8-20-10-11)17(14)9-12-3-1-2-7-19-12/h4,8,10,12-13,16H,1-3,5-7,9H2
InChIKeyOUHYPIYZDTZTQR-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83247853) is 6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one is O=C1N(CC2CCCCO2)C(c2ccsc2)NC12CC2.
What is the InChIKey of 6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is OUHYPIYZDTZTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c18-14-15(5-6-15)16-13(11-4-8-20-10-11)17(14)9-12-3-1-2-7-19-12/h4,8,10,12-13,16H,1-3,5-7,9H2.
What are the key properties of 6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 292.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83247853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).