ethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate

C11H21NO5S — CID 54952367

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

About ethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate

ethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate (PubChem CID 54952367) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate
PubChem CID54952367
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Nameethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCCCC1CCO
InChIInChI=1S/C11H21NO5S/c1-2-17-11(14)9-18(15,16)12-7-4-3-5-10(12)6-8-13/h10,13H,2-9H2,1H3
InChIKeyRKNRVFVGTWAAFS-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate?
The IUPAC name of ethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate (CID 54952367) is ethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate.
What is the SMILES notation for ethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate?
The canonical SMILES for ethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate is CCOC(=O)CS(=O)(=O)N1CCCCC1CCO.
What is the InChIKey of ethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate?
The InChIKey is RKNRVFVGTWAAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-2-17-11(14)9-18(15,16)12-7-4-3-5-10(12)6-8-13/h10,13H,2-9H2,1H3.
What are the key properties of ethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate?
ethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate 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 ethyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylacetate is sourced from PubChem (CID 54952367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).