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

C11H20N2O3S — CID 55172569

IUPAC2-(1,1-dioxothiolan-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)CC1CCS(=O)(=O)C1)C1CCNC1
InChIInChI=1S/C11H20N2O3S/c1-13(10-2-4-12-7-10)11(14)6-9-3-5-17(15,16)8-9/h9-10,12H,2-8H2,1H3
InChIKeyLVRSNHBHPODHQT-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.37
Rot. Bonds3

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

2-(1,1-dioxothiolan-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide (PubChem CID 55172569) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
PubChem CID55172569
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)CC1CCS(=O)(=O)C1)C1CCNC1
InChIInChI=1S/C11H20N2O3S/c1-13(10-2-4-12-7-10)11(14)6-9-3-5-17(15,16)8-9/h9-10,12H,2-8H2,1H3
InChIKeyLVRSNHBHPODHQT-UHFFFAOYSA-N
XLogP-0.37
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 ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide (CID 55172569) is 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide is CN(C(=O)CC1CCS(=O)(=O)C1)C1CCNC1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is LVRSNHBHPODHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-13(10-2-4-12-7-10)11(14)6-9-3-5-17(15,16)8-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide?
2-(1,1-dioxothiolan-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 260.36 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 55172569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).