ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate

C10H18N2O5S — CID 63600686

IUPACethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C10H18N2O5S/c1-3-8-10(14)11-5-6-12(8)18(15,16)7-9(13)17-4-2/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyKTOIQALSDCTDEI-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.91
Rot. Bonds5

About ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate

ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate (PubChem CID 63600686) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate
PubChem CID63600686
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Nameethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C10H18N2O5S/c1-3-8-10(14)11-5-6-12(8)18(15,16)7-9(13)17-4-2/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyKTOIQALSDCTDEI-UHFFFAOYSA-N
XLogP-0.91
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate?
The IUPAC name of ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate (CID 63600686) is ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate.
What is the SMILES notation for ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate?
The canonical SMILES for ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate is CCOC(=O)CS(=O)(=O)N1CCNC(=O)C1CC.
What is the InChIKey of ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate?
The InChIKey is KTOIQALSDCTDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-3-8-10(14)11-5-6-12(8)18(15,16)7-9(13)17-4-2/h8H,3-7H2,1-2H3,(H,11,14).
What are the key properties of ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate?
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate has a molecular weight of 278.33 g/mol, XLogP of -0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate is sourced from PubChem (CID 63600686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).