2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide

C12H22N2O3S — CID 114793519

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NCCC1CCCN1
InChIInChI=1S/C12H22N2O3S/c15-12(8-10-4-7-18(16,17)9-10)14-6-3-11-2-1-5-13-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyTYNZFNJPRLMXRS-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.07
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide

2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide (PubChem CID 114793519) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide
PubChem CID114793519
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NCCC1CCCN1
InChIInChI=1S/C12H22N2O3S/c15-12(8-10-4-7-18(16,17)9-10)14-6-3-11-2-1-5-13-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyTYNZFNJPRLMXRS-UHFFFAOYSA-N
XLogP0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
2-(1,1-dioxothiolan-3-yl)-N-pent-3-ynylacetamide
CID 115977379
N-[2-(cycloheptylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 81486869
N-(2-cyclohexylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119725744
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 113267487
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955
N-(2-cyclohexylethyl)-2-piperidin-2-ylacetamide
CID 54932758
2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60747544
N-(2-cyclohexylethyl)-3-piperidin-2-ylpropanamide
CID 62210016
2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593410

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide (CID 114793519) is 2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide is O=C(CC1CCS(=O)(=O)C1)NCCC1CCCN1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide?
The InChIKey is TYNZFNJPRLMXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c15-12(8-10-4-7-18(16,17)9-10)14-6-3-11-2-1-5-13-11/h10-11,13H,1-9H2,(H,14,15).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide?
2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide has a molecular weight of 274.39 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(2-pyrrolidin-2-ylethyl)acetamide is sourced from PubChem (CID 114793519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).