(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen

C15H26N2O6S — CID 145163824

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen (PubChem CID 145163824) has the molecular formula C15H26N2O6S and a molecular weight of 362.45 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen
• PubChem CID: 145163824
• Molecular Formula: C15H26N2O6S
• Molecular Weight: 362.45 g/mol
• Exact Mass: 362.15
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen
• SMILES: CC(C)C(=S)NCCOCCOCCC(=O)ON1C(=O)CCC1=O.[H][H]
• InChI: InChI=1S/C15H24N2O6S.H2/c1-11(2)15(24)16-6-8-22-10-9-21-7-5-14(20)23-17-12(18)3-4-13(17)19;/h11H,3-10H2,1-2H3,(H,16,24);1H
• InChIKey: PPFKWDDQHAYUAZ-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.45
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen (CID 145163824) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen is CC(C)C(=S)NCCOCCOCCC(=O)ON1C(=O)CCC1=O.[H][H].

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen?

The InChIKey is PPFKWDDQHAYUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6S.H2/c1-11(2)15(24)16-6-8-22-10-9-21-7-5-14(20)23-17-12(18)3-4-13(17)19;/h11H,3-10H2,1-2H3,(H,16,24);1H.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen?

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen has a molecular weight of 362.45 g/mol, XLogP of 0.84, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-methylpropanethioylamino)ethoxy]ethoxy]propanoate;molecular hydrogen is sourced from PubChem (CID 145163824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).