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

C12H22N2O4S — CID 62273030

IUPACethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C12H22N2O4S/c1-2-18-12(15)9-19(16,17)14-8-4-6-11(14)10-5-3-7-13-10/h10-11,13H,2-9H2,1H3
InChIKeyNBKRGFTVUVYEGO-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.10
Rot. Bonds5

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

ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate (PubChem CID 62273030) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate
PubChem CID62273030
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Nameethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCCC1C1CCCN1
InChIInChI=1S/C12H22N2O4S/c1-2-18-12(15)9-19(16,17)14-8-4-6-11(14)10-5-3-7-13-10/h10-11,13H,2-9H2,1H3
InChIKeyNBKRGFTVUVYEGO-UHFFFAOYSA-N
XLogP0.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate
CID 62274926
1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine
CID 63246941
2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid
CID 63256331
ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate
CID 79535733
1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine
CID 63256330
ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
CID 62273377
ethyl 2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylacetate
CID 115312338
5-methyl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-oxazole
CID 62274428
ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butanoate
CID 64663187
methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate
CID 78953815
N,N-dipropyl-2-pyrrolidin-2-ylpyrrolidine-1-sulfonamide
CID 62273382
1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine
CID 63256904

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate?
The IUPAC name of ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate (CID 62273030) is ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate.
What is the SMILES notation for ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate?
The canonical SMILES for ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate is CCOC(=O)CS(=O)(=O)N1CCCC1C1CCCN1.
What is the InChIKey of ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate?
The InChIKey is NBKRGFTVUVYEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-2-18-12(15)9-19(16,17)14-8-4-6-11(14)10-5-3-7-13-10/h10-11,13H,2-9H2,1H3.
What are the key properties of ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate?
ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate has a molecular weight of 290.38 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate is sourced from PubChem (CID 62273030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).