methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate

C11H21NO5S — CID 54951664

IUPACmethyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate
SMILESCOC(=O)CCS(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C11H21NO5S/c1-17-11(14)6-9-18(15,16)12-7-3-2-4-10(12)5-8-13/h10,13H,2-9H2,1H3
InChIKeyBRRMBTXISXLKTA-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.12
Rot. Bonds6

About methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate

methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate (PubChem CID 54951664) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate
PubChem CID54951664
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Namemethyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate
SMILESCOC(=O)CCS(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C11H21NO5S/c1-17-11(14)6-9-18(15,16)12-7-3-2-4-10(12)5-8-13/h10,13H,2-9H2,1H3
InChIKeyBRRMBTXISXLKTA-UHFFFAOYSA-N
XLogP0.12
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate?
The IUPAC name of methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate (CID 54951664) is methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate.
What is the SMILES notation for methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate?
The canonical SMILES for methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate is COC(=O)CCS(=O)(=O)N1CCCCC1CCO.
What is the InChIKey of methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate?
The InChIKey is BRRMBTXISXLKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-17-11(14)6-9-18(15,16)12-7-3-2-4-10(12)5-8-13/h10,13H,2-9H2,1H3.
What are the key properties of methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate?
methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate has a molecular weight of 279.36 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylpropanoate is sourced from PubChem (CID 54951664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).