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

C16H22N2OS — CID 83269807

IUPAC6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1(C)CCCC1N1C(=O)C2(CC2)NC1c1cccs1
InChIInChI=1S/C16H22N2OS/c1-15(2)7-3-6-12(15)18-13(11-5-4-10-20-11)17-16(8-9-16)14(18)19/h4-5,10,12-13,17H,3,6-9H2,1-2H3
InChIKeyWTXMOJOUAGKBEJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.29
Rot. Bonds2

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

6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83269807) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83269807
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1(C)CCCC1N1C(=O)C2(CC2)NC1c1cccs1
InChIInChI=1S/C16H22N2OS/c1-15(2)7-3-6-12(15)18-13(11-5-4-10-20-11)17-16(8-9-16)14(18)19/h4-5,10,12-13,17H,3,6-9H2,1-2H3
InChIKeyWTXMOJOUAGKBEJ-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-(thiolan-3-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 103065518
6-(2,2-dimethylcyclopentyl)-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270264
6-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83267477
6-(3-methylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83250421
6-[(2-methylcyclohexyl)methyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247835
6-(1-cyclopropylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264663
6-[1-(dimethylamino)propan-2-yl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260615
3-cyclohexyl-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83242536
6-(thiolan-2-ylmethyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270276
6-(2,2-dimethylcyclopentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270591
6-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270342
6-[2-(dimethylamino)propyl]-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83249157

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83269807) is 6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is CC1(C)CCCC1N1C(=O)C2(CC2)NC1c1cccs1.
What is the InChIKey of 6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is WTXMOJOUAGKBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-15(2)7-3-6-12(15)18-13(11-5-4-10-20-11)17-16(8-9-16)14(18)19/h4-5,10,12-13,17H,3,6-9H2,1-2H3.
What are the key properties of 6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 290.43 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83269807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).