6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

C16H24N2O2S — CID 83267196

IUPAC6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOCC(C(C)C)N1C(=O)C2(CC2)NC1c1ccc(C)s1
InChIInChI=1S/C16H24N2O2S/c1-10(2)12(9-20-4)18-14(13-6-5-11(3)21-13)17-16(7-8-16)15(18)19/h5-6,10,12,14,17H,7-9H2,1-4H3
InChIKeyXCHFPOSLDFWEBF-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.69
Rot. Bonds5

About 6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83267196) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83267196
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOCC(C(C)C)N1C(=O)C2(CC2)NC1c1ccc(C)s1
InChIInChI=1S/C16H24N2O2S/c1-10(2)12(9-20-4)18-14(13-6-5-11(3)21-13)17-16(7-8-16)15(18)19/h5-6,10,12,14,17H,7-9H2,1-4H3
InChIKeyXCHFPOSLDFWEBF-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-methoxypentan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263992
6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83238940
5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267284
5-ethyl-6-(1-methoxy-3-methylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258737
5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83268226
6-(2-methylsulfanylethyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83257199
6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 103466789
3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83243162
3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 104830751
3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83259327
5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83239801
6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83250421

Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83267196) is 6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is COCC(C(C)C)N1C(=O)C2(CC2)NC1c1ccc(C)s1.
What is the InChIKey of 6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is XCHFPOSLDFWEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-10(2)12(9-20-4)18-14(13-6-5-11(3)21-13)17-16(7-8-16)15(18)19/h5-6,10,12,14,17H,7-9H2,1-4H3.
What are the key properties of 6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 308.45 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83267196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).