N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C14H20N6O3S — CID 7866762

About N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 7866762) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• PubChem CID: 7866762
• Molecular Formula: C14H20N6O3S
• Molecular Weight: 352.42 g/mol
• Exact Mass: 352.13
• IUPAC Name: N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
• SMILES: CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nncn1C)C2=O
• InChI: InChI=1S/C14H20N6O3S/c1-9-3-5-14(6-4-9)11(22)20(12(23)16-14)18-10(21)7-24-13-17-15-8-19(13)2/h8-9H,3-7H2,1-2H3,(H,16,23)(H,18,21)
• InChIKey: OBYYPWQEDNNRNU-UHFFFAOYSA-N
• XLogP: 0.44
• TPSA: 109.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.42
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 7866762) is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nncn1C)C2=O.

What is the InChIKey of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The InChIKey is OBYYPWQEDNNRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-9-3-5-14(6-4-9)11(22)20(12(23)16-14)18-10(21)7-24-13-17-15-8-19(13)2/h8-9H,3-7H2,1-2H3,(H,16,23)(H,18,21).

What are the key properties of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 352.42 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7866762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).