3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one

C15H22N2OS — CID 83239233

IUPAC3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(C)N1C(=O)C2(CCCC2)NC1c1ccsc1
InChIInChI=1S/C15H22N2OS/c1-3-11(2)17-13(12-6-9-19-10-12)16-15(14(17)18)7-4-5-8-15/h6,9-11,13,16H,3-5,7-8H2,1-2H3
InChIKeyDBMMLVFFLQCRRE-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.29
Rot. Bonds3

About 3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one

3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83239233) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83239233
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(C)N1C(=O)C2(CCCC2)NC1c1ccsc1
InChIInChI=1S/C15H22N2OS/c1-3-11(2)17-13(12-6-9-19-10-12)16-15(14(17)18)7-4-5-8-15/h6,9-11,13,16H,3-5,7-8H2,1-2H3
InChIKeyDBMMLVFFLQCRRE-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245812
6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247618
3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83239838
6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83257056
3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83225076
6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83225055
6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83238940
6-butan-2-yl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83239589
3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245439
3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239839
6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83253794
3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83246182

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one (CID 83239233) is 3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one is CCC(C)N1C(=O)C2(CCCC2)NC1c1ccsc1.
What is the InChIKey of 3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is DBMMLVFFLQCRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-11(2)17-13(12-6-9-19-10-12)16-15(14(17)18)7-4-5-8-15/h6,9-11,13,16H,3-5,7-8H2,1-2H3.
What are the key properties of 3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 278.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83239233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).