N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione

C19H32N4O6S2 — CID 161409061

About N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione

N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione (PubChem CID 161409061) has the molecular formula C19H32N4O6S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione
• PubChem CID: 161409061
• Molecular Formula: C19H32N4O6S2
• Molecular Weight: 476.62 g/mol
• Exact Mass: 476.18
• IUPAC Name: N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione
• SMILES: CC(=O)N(C)C.CSC1CC(=O)N(C)C1=O.CSC1CC(=O)N(CC(=O)N(C)C)C1=O
• InChI: InChI=1S/C9H14N2O3S.C6H9NO2S.C4H9NO/c1-10(2)8(13)5-11-7(12)4-6(15-3)9(11)14;1-7-5(8)3-4(10-2)6(7)9;1-4(6)5(2)3/h6H,4-5H2,1-3H3;4H,3H2,1-2H3;1-3H3
• InChIKey: VVFPNAWZOCIONZ-UHFFFAOYSA-N
• XLogP: -0.23
• TPSA: 115.38 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.62
LogP ≤ 5	-0.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione?

The IUPAC name of N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione (CID 161409061) is N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione.

What is the SMILES notation for N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione?

The canonical SMILES for N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione is CC(=O)N(C)C.CSC1CC(=O)N(C)C1=O.CSC1CC(=O)N(CC(=O)N(C)C)C1=O.

What is the InChIKey of N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione?

The InChIKey is VVFPNAWZOCIONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S.C6H9NO2S.C4H9NO/c1-10(2)8(13)5-11-7(12)4-6(15-3)9(11)14;1-7-5(8)3-4(10-2)6(7)9;1-4(6)5(2)3/h6H,4-5H2,1-3H3;4H,3H2,1-2H3;1-3H3.

What are the key properties of N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione?

N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione has a molecular weight of 476.62 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethylacetamide;N,N-dimethyl-2-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)acetamide;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 161409061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).