2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide

C12H18N2O4S — CID 71804831

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
SMILESCOC1(CNC(=O)CN2C(=O)CCC2=O)CCSC1
InChIInChI=1S/C12H18N2O4S/c1-18-12(4-5-19-8-12)7-13-9(15)6-14-10(16)2-3-11(14)17/h2-8H2,1H3,(H,13,15)
InChIKeyUUIRXJRYCGMEMB-UHFFFAOYSA-N
MW286.35 g/mol
LogP-0.23
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide (PubChem CID 71804831) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
PubChem CID71804831
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
SMILESCOC1(CNC(=O)CN2C(=O)CCC2=O)CCSC1
InChIInChI=1S/C12H18N2O4S/c1-18-12(4-5-19-8-12)7-13-9(15)6-14-10(16)2-3-11(14)17/h2-8H2,1H3,(H,13,15)
InChIKeyUUIRXJRYCGMEMB-UHFFFAOYSA-N
XLogP-0.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide (CID 71804831) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide is COC1(CNC(=O)CN2C(=O)CCC2=O)CCSC1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
The InChIKey is UUIRXJRYCGMEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-18-12(4-5-19-8-12)7-13-9(15)6-14-10(16)2-3-11(14)17/h2-8H2,1H3,(H,13,15).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide has a molecular weight of 286.35 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide is sourced from PubChem (CID 71804831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).