ethyl 2-piperidin-4-ylsulfonylacetate

C9H17NO4S — CID 134086010

IUPACethyl 2-piperidin-4-ylsulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)C1CCNCC1
InChIInChI=1S/C9H17NO4S/c1-2-14-9(11)7-15(12,13)8-3-5-10-6-4-8/h8,10H,2-7H2,1H3
InChIKeyAOGXAYACMFMNQX-UHFFFAOYSA-N
MW235.30 g/mol
LogP-0.28
Rot. Bonds4

About ethyl 2-piperidin-4-ylsulfonylacetate

ethyl 2-piperidin-4-ylsulfonylacetate (PubChem CID 134086010) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is ethyl 2-piperidin-4-ylsulfonylacetate.

Molecular Properties

Compound Nameethyl 2-piperidin-4-ylsulfonylacetate
PubChem CID134086010
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Nameethyl 2-piperidin-4-ylsulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)C1CCNCC1
InChIInChI=1S/C9H17NO4S/c1-2-14-9(11)7-15(12,13)8-3-5-10-6-4-8/h8,10H,2-7H2,1H3
InChIKeyAOGXAYACMFMNQX-UHFFFAOYSA-N
XLogP-0.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-4-ylsulfonylacetate?
The IUPAC name of ethyl 2-piperidin-4-ylsulfonylacetate (CID 134086010) is ethyl 2-piperidin-4-ylsulfonylacetate.
What is the SMILES notation for ethyl 2-piperidin-4-ylsulfonylacetate?
The canonical SMILES for ethyl 2-piperidin-4-ylsulfonylacetate is CCOC(=O)CS(=O)(=O)C1CCNCC1.
What is the InChIKey of ethyl 2-piperidin-4-ylsulfonylacetate?
The InChIKey is AOGXAYACMFMNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-14-9(11)7-15(12,13)8-3-5-10-6-4-8/h8,10H,2-7H2,1H3.
What are the key properties of ethyl 2-piperidin-4-ylsulfonylacetate?
ethyl 2-piperidin-4-ylsulfonylacetate has a molecular weight of 235.30 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-4-ylsulfonylacetate is sourced from PubChem (CID 134086010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).