ethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate

C13H24N2O4S — CID 61457430

IUPACethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C13H24N2O4S/c1-2-19-13(16)10-20(17,18)15-8-4-5-11(9-15)12-6-3-7-14-12/h11-12,14H,2-10H2,1H3
InChIKeyYREWFDUJLDPDGZ-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.34
Rot. Bonds5

About ethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate

ethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate (PubChem CID 61457430) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is ethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate
PubChem CID61457430
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Nameethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C13H24N2O4S/c1-2-19-13(16)10-20(17,18)15-8-4-5-11(9-15)12-6-3-7-14-12/h11-12,14H,2-10H2,1H3
InChIKeyYREWFDUJLDPDGZ-UHFFFAOYSA-N
XLogP0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate 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

Ethyl 3-(3-azabicyclo[3.1.0]hexan-6-ylsulfamoyl)propanoate
CID 54951069
Methyl 3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate
CID 54951158
Methyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)propanoate
CID 54951622
Ethyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate
CID 54952683
Ethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate
CID 54952684
Ethyl 2-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]acetate
CID 54952685
1-(2-Methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine
CID 55014168
3-[1-(2-Methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine
CID 55014441
4-[1-(2-Methoxyethylsulfonyl)pyrrolidin-2-yl]piperidine
CID 55014442
4-[1-(3-Methoxypropylsulfonyl)pyrrolidin-2-yl]piperidine
CID 55170569
Methyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]sulfonylacetate
CID 55175428
1-(2-Ethoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine
CID 55175464

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate?
The IUPAC name of ethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate (CID 61457430) is ethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate.
What is the SMILES notation for ethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate?
The canonical SMILES for ethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate is CCOC(=O)CS(=O)(=O)N1CCCC(C2CCCN2)C1.
What is the InChIKey of ethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate?
The InChIKey is YREWFDUJLDPDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-2-19-13(16)10-20(17,18)15-8-4-5-11(9-15)12-6-3-7-14-12/h11-12,14H,2-10H2,1H3.
What are the key properties of ethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate?
ethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate has a molecular weight of 304.41 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate is sourced from PubChem (CID 61457430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).