6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one

C17H26N2OS — CID 83270030

IUPAC6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCCCCCN1C(=O)C2(CC2)NC1c1ccsc1
InChIInChI=1S/C17H26N2OS/c1-2-3-4-5-6-7-11-19-15(14-8-12-21-13-14)18-17(9-10-17)16(19)20/h8,12-13,15,18H,2-7,9-11H2,1H3
InChIKeyJASNQTHLKDOUAZ-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.07
Rot. Bonds8

About 6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one

6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83270030) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83270030
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCCCCCN1C(=O)C2(CC2)NC1c1ccsc1
InChIInChI=1S/C17H26N2OS/c1-2-3-4-5-6-7-11-19-15(14-8-12-21-13-14)18-17(9-10-17)16(19)20/h8,12-13,15,18H,2-7,9-11H2,1H3
InChIKeyJASNQTHLKDOUAZ-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245439
5-(3,4-difluorophenyl)-6-pentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246226
5-(3-chlorophenyl)-6-pentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83251394
6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247618
3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83245133
5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074
3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253506
6-(1,4-dioxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246552
3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239233
6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83253794
5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270056
6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83257056

Frequently Asked Questions

What is the IUPAC name of 6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83270030) is 6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one is CCCCCCCCN1C(=O)C2(CC2)NC1c1ccsc1.
What is the InChIKey of 6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is JASNQTHLKDOUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-2-3-4-5-6-7-11-19-15(14-8-12-21-13-14)18-17(9-10-17)16(19)20/h8,12-13,15,18H,2-7,9-11H2,1H3.
What are the key properties of 6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 306.48 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83270030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).