6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

C16H24N2OS — CID 103466789

IUPAC6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC(C)(C)CN1C(=O)C2(CC2)NC1c1ccc(C)s1
InChIInChI=1S/C16H24N2OS/c1-5-15(3,4)10-18-13(12-7-6-11(2)20-12)17-16(8-9-16)14(18)19/h6-7,13,17H,5,8-10H2,1-4H3
InChIKeyKLUAHUGYBCTUPE-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.46
Rot. Bonds4

About 6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 103466789) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID103466789
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC(C)(C)CN1C(=O)C2(CC2)NC1c1ccc(C)s1
InChIInChI=1S/C16H24N2OS/c1-5-15(3,4)10-18-13(12-7-6-11(2)20-12)17-16(8-9-16)14(18)19/h6-7,13,17H,5,8-10H2,1-4H3
InChIKeyKLUAHUGYBCTUPE-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one with MolForge

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Related Compounds

5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267284
6-(2-methylsulfanylethyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83257199
6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83238940
3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83243162
6-(1-methoxypentan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263992
6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267196
5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248709
5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246689
6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83239062
3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 104830751
3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83256875
4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 103465383

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 103466789) is 6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is CCC(C)(C)CN1C(=O)C2(CC2)NC1c1ccc(C)s1.
What is the InChIKey of 6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is KLUAHUGYBCTUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-5-15(3,4)10-18-13(12-7-6-11(2)20-12)17-16(8-9-16)14(18)19/h6-7,13,17H,5,8-10H2,1-4H3.
What are the key properties of 6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 292.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 103466789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).