methyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate

C10H15NO6S — CID 64636534

IUPACmethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C10H15NO6S/c1-17-10(14)7-18(15,16)6-9(13)11-4-2-8(12)3-5-11/h2-7H2,1H3
InChIKeyYWWPZRDOXWJTJX-UHFFFAOYSA-N
MW277.30 g/mol
LogP-1.23
Rot. Bonds4

About methyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate

methyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate (PubChem CID 64636534) has the molecular formula C10H15NO6S and a molecular weight of 277.30 g/mol. Its IUPAC name is methyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate
PubChem CID64636534
Molecular FormulaC10H15NO6S
Molecular Weight277.30 g/mol
Exact Mass277.06
IUPAC Namemethyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C10H15NO6S/c1-17-10(14)7-18(15,16)6-9(13)11-4-2-8(12)3-5-11/h2-7H2,1H3
InChIKeyYWWPZRDOXWJTJX-UHFFFAOYSA-N
XLogP-1.23
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate?
The IUPAC name of methyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate (CID 64636534) is methyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate.
What is the SMILES notation for methyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate?
The canonical SMILES for methyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate is COC(=O)CS(=O)(=O)CC(=O)N1CCC(=O)CC1.
What is the InChIKey of methyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate?
The InChIKey is YWWPZRDOXWJTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6S/c1-17-10(14)7-18(15,16)6-9(13)11-4-2-8(12)3-5-11/h2-7H2,1H3.
What are the key properties of methyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate?
methyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate has a molecular weight of 277.30 g/mol, XLogP of -1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]sulfonylacetate is sourced from PubChem (CID 64636534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).