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

C17H26N2OS — CID 83267284

IUPAC5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCc1ccc(C2NC3(CC3)C(=O)N2CC(C)C(C)(C)C)s1
InChIInChI=1S/C17H26N2OS/c1-11(16(3,4)5)10-19-14(13-7-6-12(2)21-13)18-17(8-9-17)15(19)20/h6-7,11,14,18H,8-10H2,1-5H3
InChIKeyCBBRLAZHOYMCRQ-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.70
Rot. Bonds3

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

5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83267284) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83267284
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCc1ccc(C2NC3(CC3)C(=O)N2CC(C)C(C)(C)C)s1
InChIInChI=1S/C17H26N2OS/c1-11(16(3,4)5)10-19-14(13-7-6-12(2)21-13)18-17(8-9-17)15(19)20/h6-7,11,14,18H,8-10H2,1-5H3
InChIKeyCBBRLAZHOYMCRQ-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 103466789
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
6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267196
3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 104830751
6-(1-methoxypentan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263992
3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83243162
6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83249157
6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245173
3-(2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83256875
6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83271058
5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767642

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83267284) is 5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one is Cc1ccc(C2NC3(CC3)C(=O)N2CC(C)C(C)(C)C)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is CBBRLAZHOYMCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-11(16(3,4)5)10-19-14(13-7-6-12(2)21-13)18-17(8-9-17)15(19)20/h6-7,11,14,18H,8-10H2,1-5H3.
What are the key properties of 5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 306.48 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83267284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).