2-(3-ethylpiperidin-1-yl)sulfonylacetic acid

C9H17NO4S — CID 43584331

IUPAC2-(3-ethylpiperidin-1-yl)sulfonylacetic acid
SMILESCCC1CCCN(S(=O)(=O)CC(=O)O)C1
InChIInChI=1S/C9H17NO4S/c1-2-8-4-3-5-10(6-8)15(13,14)7-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyHDBDDMOSXYKFHL-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.52
Rot. Bonds4

About 2-(3-ethylpiperidin-1-yl)sulfonylacetic acid

2-(3-ethylpiperidin-1-yl)sulfonylacetic acid (PubChem CID 43584331) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)sulfonylacetic acid
PubChem CID43584331
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-(3-ethylpiperidin-1-yl)sulfonylacetic acid
SMILESCCC1CCCN(S(=O)(=O)CC(=O)O)C1
InChIInChI=1S/C9H17NO4S/c1-2-8-4-3-5-10(6-8)15(13,14)7-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyHDBDDMOSXYKFHL-UHFFFAOYSA-N
XLogP0.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)sulfonylacetic acid?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)sulfonylacetic acid (CID 43584331) is 2-(3-ethylpiperidin-1-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)sulfonylacetic acid?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)sulfonylacetic acid is CCC1CCCN(S(=O)(=O)CC(=O)O)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)sulfonylacetic acid?
The InChIKey is HDBDDMOSXYKFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-8-4-3-5-10(6-8)15(13,14)7-9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-(3-ethylpiperidin-1-yl)sulfonylacetic acid?
2-(3-ethylpiperidin-1-yl)sulfonylacetic acid has a molecular weight of 235.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)sulfonylacetic acid is sourced from PubChem (CID 43584331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).