methyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate

C11H21NO5S — CID 54951266

IUPACmethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate
SMILESCOC(=O)C(C)S(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C11H21NO5S/c1-9(11(14)17-2)18(15,16)12-7-4-3-5-10(12)6-8-13/h9-10,13H,3-8H2,1-2H3
InChIKeyQNBGRPIXJQLFJD-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.11
Rot. Bonds5

About methyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate

methyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate (PubChem CID 54951266) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate
PubChem CID54951266
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Namemethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate
SMILESCOC(=O)C(C)S(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C11H21NO5S/c1-9(11(14)17-2)18(15,16)12-7-4-3-5-10(12)6-8-13/h9-10,13H,3-8H2,1-2H3
InChIKeyQNBGRPIXJQLFJD-UHFFFAOYSA-N
XLogP0.11
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate?
The IUPAC name of methyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate (CID 54951266) is methyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate.
What is the SMILES notation for methyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate?
The canonical SMILES for methyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate is COC(=O)C(C)S(=O)(=O)N1CCCCC1CCO.
What is the InChIKey of methyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate?
The InChIKey is QNBGRPIXJQLFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-9(11(14)17-2)18(15,16)12-7-4-3-5-10(12)6-8-13/h9-10,13H,3-8H2,1-2H3.
What are the key properties of methyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate?
methyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate has a molecular weight of 279.36 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate is sourced from PubChem (CID 54951266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).