8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C14H16N2O3S — CID 115947529

IUPAC8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCC(Cc1ccsc1)N1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C14H16N2O3S/c1-9(7-10-3-6-20-8-10)16-12(18)14(4-2-5-14)11(17)15-13(16)19/h3,6,8-9H,2,4-5,7H2,1H3,(H,15,17,19)
InChIKeyJBGVMALMTLNHPF-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.93
Rot. Bonds3

About 8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 115947529) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID115947529
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCC(Cc1ccsc1)N1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C14H16N2O3S/c1-9(7-10-3-6-20-8-10)16-12(18)14(4-2-5-14)11(17)15-13(16)19/h3,6,8-9H,2,4-5,7H2,1H3,(H,15,17,19)
InChIKeyJBGVMALMTLNHPF-UHFFFAOYSA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.93
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-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 115947529) is 8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is CC(Cc1ccsc1)N1C(=O)NC(=O)C2(CCC2)C1=O.
What is the InChIKey of 8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is JBGVMALMTLNHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9(7-10-3-6-20-8-10)16-12(18)14(4-2-5-14)11(17)15-13(16)19/h3,6,8-9H,2,4-5,7H2,1H3,(H,15,17,19).
What are the key properties of 8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 292.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-thiophen-3-ylpropan-2-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 115947529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).