ethyl 2-piperidin-4-yloxysulfonylacetate

C9H17NO5S — CID 175234568

IUPACethyl 2-piperidin-4-yloxysulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)OC1CCNCC1
InChIInChI=1S/C9H17NO5S/c1-2-14-9(11)7-16(12,13)15-8-3-5-10-6-4-8/h8,10H,2-7H2,1H3
InChIKeyWAMOFCAKJXLFMK-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.35
Rot. Bonds5

About ethyl 2-piperidin-4-yloxysulfonylacetate

ethyl 2-piperidin-4-yloxysulfonylacetate (PubChem CID 175234568) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is ethyl 2-piperidin-4-yloxysulfonylacetate.

Molecular Properties

Compound Nameethyl 2-piperidin-4-yloxysulfonylacetate
PubChem CID175234568
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Nameethyl 2-piperidin-4-yloxysulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)OC1CCNCC1
InChIInChI=1S/C9H17NO5S/c1-2-14-9(11)7-16(12,13)15-8-3-5-10-6-4-8/h8,10H,2-7H2,1H3
InChIKeyWAMOFCAKJXLFMK-UHFFFAOYSA-N
XLogP-0.35
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze ethyl 2-piperidin-4-yloxysulfonylacetate 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 ethyl 2-piperidin-4-yloxysulfonylacetate?
The IUPAC name of ethyl 2-piperidin-4-yloxysulfonylacetate (CID 175234568) is ethyl 2-piperidin-4-yloxysulfonylacetate.
What is the SMILES notation for ethyl 2-piperidin-4-yloxysulfonylacetate?
The canonical SMILES for ethyl 2-piperidin-4-yloxysulfonylacetate is CCOC(=O)CS(=O)(=O)OC1CCNCC1.
What is the InChIKey of ethyl 2-piperidin-4-yloxysulfonylacetate?
The InChIKey is WAMOFCAKJXLFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-2-14-9(11)7-16(12,13)15-8-3-5-10-6-4-8/h8,10H,2-7H2,1H3.
What are the key properties of ethyl 2-piperidin-4-yloxysulfonylacetate?
ethyl 2-piperidin-4-yloxysulfonylacetate has a molecular weight of 251.30 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-4-yloxysulfonylacetate is sourced from PubChem (CID 175234568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).