6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one

C15H20N2OS — CID 83257056

IUPAC6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(CC1CC1)N1C(=O)C2(CC2)NC1c1ccsc1
InChIInChI=1S/C15H20N2OS/c1-10(8-11-2-3-11)17-13(12-4-7-19-9-12)16-15(5-6-15)14(17)18/h4,7,9-11,13,16H,2-3,5-6,8H2,1H3
InChIKeyLBTHDRIKRWSTLH-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.90
Rot. Bonds4

About 6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one

6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83257056) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83257056
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(CC1CC1)N1C(=O)C2(CC2)NC1c1ccsc1
InChIInChI=1S/C15H20N2OS/c1-10(8-11-2-3-11)17-13(12-4-7-19-9-12)16-15(5-6-15)14(17)18/h4,7,9-11,13,16H,2-3,5-6,8H2,1H3
InChIKeyLBTHDRIKRWSTLH-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239233
6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263864
6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247618
6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263876
3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245812
3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83239838
6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83253794
6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270030
6-(3,3-dimethylcyclopentyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 114552417
6-(1-cyclopropylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264663
3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257143
6-(1,4-dioxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246552

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83257056) is 6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one is CC(CC1CC1)N1C(=O)C2(CC2)NC1c1ccsc1.
What is the InChIKey of 6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is LBTHDRIKRWSTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(8-11-2-3-11)17-13(12-4-7-19-9-12)16-15(5-6-15)14(17)18/h4,7,9-11,13,16H,2-3,5-6,8H2,1H3.
What are the key properties of 6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 276.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83257056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).