8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H15N3O3S — CID 79777233

IUPAC8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cscc1C(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C13H15N3O3S/c1-8-6-20-7-9(8)10(17)16-4-2-13(3-5-16)11(18)14-12(19)15-13/h6-7H,2-5H2,1H3,(H2,14,15,18,19)
InChIKeyBHUHLAUAEJDOFS-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.87
Rot. Bonds1

About 8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 79777233) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID79777233
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cscc1C(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C13H15N3O3S/c1-8-6-20-7-9(8)10(17)16-4-2-13(3-5-16)11(18)14-12(19)15-13/h6-7H,2-5H2,1H3,(H2,14,15,18,19)
InChIKeyBHUHLAUAEJDOFS-UHFFFAOYSA-N
XLogP0.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 79777233) is 8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1cscc1C(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is BHUHLAUAEJDOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-6-20-7-9(8)10(17)16-4-2-13(3-5-16)11(18)14-12(19)15-13/h6-7H,2-5H2,1H3,(H2,14,15,18,19).
What are the key properties of 8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 293.35 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 79777233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).