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

C15H22N2OS — CID 83247618

IUPAC6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC(C)C(C)N1C(=O)C2(CC2)NC1c1ccsc1
InChIInChI=1S/C15H22N2OS/c1-4-10(2)11(3)17-13(12-5-8-19-9-12)16-15(6-7-15)14(17)18/h5,8-11,13,16H,4,6-7H2,1-3H3
InChIKeyAFEZQDFKDVNDSB-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.15
Rot. Bonds4

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

6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83247618) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83247618
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC(C)C(C)N1C(=O)C2(CC2)NC1c1ccsc1
InChIInChI=1S/C15H22N2OS/c1-4-10(2)11(3)17-13(12-5-8-19-9-12)16-15(6-7-15)14(17)18/h5,8-11,13,16H,4,6-7H2,1-3H3
InChIKeyAFEZQDFKDVNDSB-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one with MolForge

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Related Compounds

3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239233
3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245812
6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83257056
5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83248366
3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83239838
6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270030
6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83253794
6-(3,3-dimethylcyclopentyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 114552417
2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83247368
6-(1,4-dioxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246552
6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83225055
3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83259458

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83247618) is 6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one is CCC(C)C(C)N1C(=O)C2(CC2)NC1c1ccsc1.
What is the InChIKey of 6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is AFEZQDFKDVNDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-10(2)11(3)17-13(12-5-8-19-9-12)16-15(6-7-15)14(17)18/h5,8-11,13,16H,4,6-7H2,1-3H3.
What are the key properties of 6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 278.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83247618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).