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

C14H20N2OS — CID 83250421

IUPAC6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)C(C)N1C(=O)C2(CC2)NC1c1cccs1
InChIInChI=1S/C14H20N2OS/c1-9(2)10(3)16-12(11-5-4-8-18-11)15-14(6-7-14)13(16)17/h4-5,8-10,12,15H,6-7H2,1-3H3
InChIKeyCGDWFPFOOMYQPE-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.76
Rot. Bonds3

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

6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83250421) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83250421
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)C(C)N1C(=O)C2(CC2)NC1c1cccs1
InChIInChI=1S/C14H20N2OS/c1-9(2)10(3)16-12(11-5-4-8-18-11)15-14(6-7-14)13(16)17/h4-5,8-10,12,15H,6-7H2,1-3H3
InChIKeyCGDWFPFOOMYQPE-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-[1-(dimethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260615
6-[1-(diethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83252441
6-(1-cyclopropylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264663
6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83249157
3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83251011
6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83269807
6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270276
6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 103065518
6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247835
6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83267477
5-thiophen-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83264204
6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247618

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83250421) is 6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is CC(C)C(C)N1C(=O)C2(CC2)NC1c1cccs1.
What is the InChIKey of 6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is CGDWFPFOOMYQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-9(2)10(3)16-12(11-5-4-8-18-11)15-14(6-7-14)13(16)17/h4-5,8-10,12,15H,6-7H2,1-3H3.
What are the key properties of 6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 264.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83250421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).