methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate

C10H17NO5S — CID 18673774

IUPACmethyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate
SMILESCOC(=O)C(C)(C)S(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C10H17NO5S/c1-10(2,9(13)16-3)17(14,15)11-6-4-8(12)5-7-11/h4-7H2,1-3H3
InChIKeyZDSKNQQQAQNDKG-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.07
Rot. Bonds3

About methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate

methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate (PubChem CID 18673774) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate
PubChem CID18673774
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Namemethyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate
SMILESCOC(=O)C(C)(C)S(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C10H17NO5S/c1-10(2,9(13)16-3)17(14,15)11-6-4-8(12)5-7-11/h4-7H2,1-3H3
InChIKeyZDSKNQQQAQNDKG-UHFFFAOYSA-N
XLogP-0.07
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate?
The IUPAC name of methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate (CID 18673774) is methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate.
What is the SMILES notation for methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate?
The canonical SMILES for methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate is COC(=O)C(C)(C)S(=O)(=O)N1CCC(=O)CC1.
What is the InChIKey of methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate?
The InChIKey is ZDSKNQQQAQNDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-10(2,9(13)16-3)17(14,15)11-6-4-8(12)5-7-11/h4-7H2,1-3H3.
What are the key properties of methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate?
methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate has a molecular weight of 263.31 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(4-oxopiperidin-1-yl)sulfonylpropanoate is sourced from PubChem (CID 18673774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).