2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C15H19N3O3S — CID 4811995

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1cccs1
InChIInChI=1S/C15H19N3O3S/c19-12(16-9-11-5-4-8-22-11)10-18-13(20)15(17-14(18)21)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9-10H2,(H,16,19)(H,17,21)
InChIKeyJXBVUYNPXUMGTQ-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.62
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4811995) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4811995
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1cccs1
InChIInChI=1S/C15H19N3O3S/c19-12(16-9-11-5-4-8-22-11)10-18-13(20)15(17-14(18)21)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9-10H2,(H,16,19)(H,17,21)
InChIKeyJXBVUYNPXUMGTQ-UHFFFAOYSA-N
XLogP1.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-5-(thiophen-2-yl)imidazolidine-2,4-dione
CID 233530
2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4826065
N-benzyl-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4878898
3-(2-Oxo-2-thiophen-2-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7240798
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
2-{2',5'-dioxo-6,7-dihydro-5H-spiro[1-benzothiophene-4,4'-imidazolidin]-1'-yl}acetonitrile
CID 16316073
Proline scaffold, 32
CID 42618129
Thiantoin
CID 31325
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2551998
3-[(4-Methylsulfanylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622723
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2691233
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-(thien-2-ylmethyl)acetamide
CID 3236197

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 4811995) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1cccs1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JXBVUYNPXUMGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-12(16-9-11-5-4-8-22-11)10-18-13(20)15(17-14(18)21)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9-10H2,(H,16,19)(H,17,21).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4811995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).