N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide

C11H20N2O3S — CID 55151479

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCN(C(=O)CC1CCCN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-13(10-4-6-17(15,16)8-10)11(14)7-9-3-2-5-12-9/h9-10,12H,2-8H2,1H3
InChIKeyHFXWQZODIUOOFB-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.23
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide (PubChem CID 55151479) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
PubChem CID55151479
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCN(C(=O)CC1CCCN1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-13(10-4-6-17(15,16)8-10)11(14)7-9-3-2-5-12-9/h9-10,12H,2-8H2,1H3
InChIKeyHFXWQZODIUOOFB-UHFFFAOYSA-N
XLogP-0.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide (CID 55151479) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide is CN(C(=O)CC1CCCN1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide?
The InChIKey is HFXWQZODIUOOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-13(10-4-6-17(15,16)8-10)11(14)7-9-3-2-5-12-9/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide has a molecular weight of 260.36 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 55151479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).