methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate

C11H20N2O4S — CID 62274926

IUPACmethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C11H20N2O4S/c1-17-11(14)8-18(15,16)13-7-3-5-10(13)9-4-2-6-12-9/h9-10,12H,2-8H2,1H3
InChIKeyQCXKEDCZJVYCTG-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.29
Rot. Bonds4

About methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate

methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate (PubChem CID 62274926) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate
PubChem CID62274926
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Namemethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C11H20N2O4S/c1-17-11(14)8-18(15,16)13-7-3-5-10(13)9-4-2-6-12-9/h9-10,12H,2-8H2,1H3
InChIKeyQCXKEDCZJVYCTG-UHFFFAOYSA-N
XLogP-0.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate
CID 62273030
2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid
CID 63256331
methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate
CID 63259471
(2S)-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 61359148
1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine
CID 63246941
methyl 2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]sulfonyl]acetate
CID 102681077
1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine
CID 63256330
methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate
CID 79546798
1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine
CID 63256904
methyl 2-[2-(hydroxymethyl)azepan-1-yl]sulfonylacetate
CID 116636738
methyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]sulfonylacetate
CID 79547052
N,N-dipropyl-2-pyrrolidin-2-ylpyrrolidine-1-sulfonamide
CID 62273382

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate?
The IUPAC name of methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate (CID 62274926) is methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate.
What is the SMILES notation for methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate?
The canonical SMILES for methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate is COC(=O)CS(=O)(=O)N1CCCC1C1CCCN1.
What is the InChIKey of methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate?
The InChIKey is QCXKEDCZJVYCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-17-11(14)8-18(15,16)13-7-3-5-10(13)9-4-2-6-12-9/h9-10,12H,2-8H2,1H3.
What are the key properties of methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate?
methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate has a molecular weight of 276.36 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate is sourced from PubChem (CID 62274926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).