8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C15H18N2O3S — CID 115947127

IUPAC8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCC(C)C(c1cccs1)N1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C15H18N2O3S/c1-9(2)11(10-5-3-8-21-10)17-13(19)15(6-4-7-15)12(18)16-14(17)20/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,16,18,20)
InChIKeyCRRAOWQPPCBAQX-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.69
Rot. Bonds3

About 8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 115947127) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID115947127
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCC(C)C(c1cccs1)N1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C15H18N2O3S/c1-9(2)11(10-5-3-8-21-10)17-13(19)15(6-4-7-15)12(18)16-14(17)20/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,16,18,20)
InChIKeyCRRAOWQPPCBAQX-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 115947127) is 8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is CC(C)C(c1cccs1)N1C(=O)NC(=O)C2(CCC2)C1=O.
What is the InChIKey of 8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is CRRAOWQPPCBAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9(2)11(10-5-3-8-21-10)17-13(19)15(6-4-7-15)12(18)16-14(17)20/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,16,18,20).
What are the key properties of 8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 306.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-1-thiophen-2-ylpropyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 115947127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).