(2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid

C15H20N2O5S — CID 154767767

IUPAC(2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C2CCN(S(=O)(=O)c3cccnc3)CC2)O1
InChIInChI=1S/C15H20N2O5S/c18-15(19)14-4-3-13(22-14)11-5-8-17(9-6-11)23(20,21)12-2-1-7-16-10-12/h1-2,7,10-11,13-14H,3-6,8-9H2,(H,18,19)/t13-,14+/m0/s1
InChIKeyBSVFPLNQXQAAOW-UONOGXRCSA-N
MW340.40 g/mol
LogP1.11
Rot. Bonds4

About (2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid

(2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid (PubChem CID 154767767) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is (2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid
PubChem CID154767767
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name(2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C2CCN(S(=O)(=O)c3cccnc3)CC2)O1
InChIInChI=1S/C15H20N2O5S/c18-15(19)14-4-3-13(22-14)11-5-8-17(9-6-11)23(20,21)12-2-1-7-16-10-12/h1-2,7,10-11,13-14H,3-6,8-9H2,(H,18,19)/t13-,14+/m0/s1
InChIKeyBSVFPLNQXQAAOW-UONOGXRCSA-N
XLogP1.11
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid (CID 154767767) is (2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C2CCN(S(=O)(=O)c3cccnc3)CC2)O1.
What is the InChIKey of (2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid?
The InChIKey is BSVFPLNQXQAAOW-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20N2O5S/c18-15(19)14-4-3-13(22-14)11-5-8-17(9-6-11)23(20,21)12-2-1-7-16-10-12/h1-2,7,10-11,13-14H,3-6,8-9H2,(H,18,19)/t13-,14+/m0/s1.
What are the key properties of (2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid?
(2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid has a molecular weight of 340.40 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxolane-2-carboxylic acid is sourced from PubChem (CID 154767767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).