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

C13H15N3O3S — CID 27421189

IUPAC3-methyl-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCN(C(=O)c3cccs3)CC2)C1=O
InChIInChI=1S/C13H15N3O3S/c1-15-11(18)13(14-12(15)19)4-6-16(7-5-13)10(17)9-3-2-8-20-9/h2-3,8H,4-7H2,1H3,(H,14,19)
InChIKeyVMEYPOCQIJDBAA-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.90
Rot. Bonds1

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

3-methyl-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 27421189) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-methyl-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-methyl-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID27421189
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-methyl-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCN(C(=O)c3cccs3)CC2)C1=O
InChIInChI=1S/C13H15N3O3S/c1-15-11(18)13(14-12(15)19)4-6-16(7-5-13)10(17)9-3-2-8-20-9/h2-3,8H,4-7H2,1H3,(H,14,19)
InChIKeyVMEYPOCQIJDBAA-UHFFFAOYSA-N
XLogP0.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
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 3-methyl-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-methyl-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 27421189) is 3-methyl-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-methyl-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-methyl-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)NC2(CCN(C(=O)c3cccs3)CC2)C1=O.
What is the InChIKey of 3-methyl-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is VMEYPOCQIJDBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-15-11(18)13(14-12(15)19)4-6-16(7-5-13)10(17)9-3-2-8-20-9/h2-3,8H,4-7H2,1H3,(H,14,19).
What are the key properties of 3-methyl-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-methyl-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 293.35 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(thiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 27421189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).