2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid

C12H16N2O5S — CID 63877172

IUPAC2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid
SMILESO=C(O)COC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C12H16N2O5S/c15-12(16)9-19-10-3-6-14(7-4-10)20(17,18)11-2-1-5-13-8-11/h1-2,5,8,10H,3-4,6-7,9H2,(H,15,16)
InChIKeyUNPWQHWJRYMRME-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.34
Rot. Bonds5

About 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid

2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid (PubChem CID 63877172) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid
PubChem CID63877172
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid
SMILESO=C(O)COC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C12H16N2O5S/c15-12(16)9-19-10-3-6-14(7-4-10)20(17,18)11-2-1-5-13-8-11/h1-2,5,8,10H,3-4,6-7,9H2,(H,15,16)
InChIKeyUNPWQHWJRYMRME-UHFFFAOYSA-N
XLogP0.34
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid (CID 63877172) is 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid is O=C(O)COC1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid?
The InChIKey is UNPWQHWJRYMRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c15-12(16)9-19-10-3-6-14(7-4-10)20(17,18)11-2-1-5-13-8-11/h1-2,5,8,10H,3-4,6-7,9H2,(H,15,16).
What are the key properties of 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid?
2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid has a molecular weight of 300.34 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 63877172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).