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

C17H24N2OS — CID 83253794

IUPAC6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1CCCCC1N1C(=O)C2(CC2)NC1c1ccsc1
InChIInChI=1S/C17H24N2OS/c1-2-12-5-3-4-6-14(12)19-15(13-7-10-21-11-13)18-17(8-9-17)16(19)20/h7,10-12,14-15,18H,2-6,8-9H2,1H3
InChIKeyIPFSZLWNZJTGJN-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.68
Rot. Bonds3

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

6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83253794) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83253794
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCC1CCCCC1N1C(=O)C2(CC2)NC1c1ccsc1
InChIInChI=1S/C17H24N2OS/c1-2-12-5-3-4-6-14(12)19-15(13-7-10-21-11-13)18-17(8-9-17)16(19)20/h7,10-12,14-15,18H,2-6,8-9H2,1H3
InChIKeyIPFSZLWNZJTGJN-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,3-dimethylcyclopentyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 114552417
3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239233
6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247618
6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83257056
6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270030
3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245812
3-(3-ethyl-2-methylcyclopentyl)-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83259456
3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245439
5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83263059
5-ethyl-5-methyl-3-[(2-methylcyclopentyl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 107421445
3-(cyclobutylmethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83244229
6-(1,4-dioxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246552

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83253794) is 6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one is CCC1CCCCC1N1C(=O)C2(CC2)NC1c1ccsc1.
What is the InChIKey of 6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is IPFSZLWNZJTGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-12-5-3-4-6-14(12)19-15(13-7-10-21-11-13)18-17(8-9-17)16(19)20/h7,10-12,14-15,18H,2-6,8-9H2,1H3.
What are the key properties of 6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 304.46 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83253794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).