methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate

C12H22N2O4S — CID 63259471

IUPACmethyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C12H22N2O4S/c1-18-12(15)9-19(16,17)14-7-4-10(5-8-14)11-3-2-6-13-11/h10-11,13H,2-9H2,1H3
InChIKeySTNRRWLEWDRWPZ-UHFFFAOYSA-N
MW290.38 g/mol
LogP-0.05
Rot. Bonds4

About methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate

methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate (PubChem CID 63259471) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate
PubChem CID63259471
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Namemethyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C12H22N2O4S/c1-18-12(15)9-19(16,17)14-7-4-10(5-8-14)11-3-2-6-13-11/h10-11,13H,2-9H2,1H3
InChIKeySTNRRWLEWDRWPZ-UHFFFAOYSA-N
XLogP-0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4-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

methyl 2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]sulfonyl]acetate
CID 102681077
methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate
CID 62274926
1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714170
methyl 3-[(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylmethyl]benzoate;hydrochloride
CID 120714285
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate
CID 66291556
methyl 1,2,3,4,4a,5,6,8,9,9a-decahydropyrido[2,3-d]azepine-7-carboxylate
CID 83848939
2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 112703555
2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999699
1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine
CID 55232220
methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62370432
methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate
CID 114464672
(2S)-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 61359148

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate?
The IUPAC name of methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate (CID 63259471) is methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate.
What is the SMILES notation for methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate?
The canonical SMILES for methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate is COC(=O)CS(=O)(=O)N1CCC(C2CCCN2)CC1.
What is the InChIKey of methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate?
The InChIKey is STNRRWLEWDRWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-18-12(15)9-19(16,17)14-7-4-10(5-8-14)11-3-2-6-13-11/h10-11,13H,2-9H2,1H3.
What are the key properties of methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate?
methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate has a molecular weight of 290.38 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate is sourced from PubChem (CID 63259471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).