3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine

C21H22N2O3S — CID 24730929

IUPAC3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine
SMILESO=S(=O)(c1ccc(-c2ccco2)cc1)C1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C21H22N2O3S/c24-27(25,19-7-5-18(6-8-19)21-4-2-14-26-21)20-9-12-23(13-10-20)16-17-3-1-11-22-15-17/h1-8,11,14-15,20H,9-10,12-13,16H2
InChIKeyPQQPJJFWRQMUIP-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.78
Rot. Bonds5

About 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine

3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine (PubChem CID 24730929) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine
PubChem CID24730929
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine
SMILESO=S(=O)(c1ccc(-c2ccco2)cc1)C1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C21H22N2O3S/c24-27(25,19-7-5-18(6-8-19)21-4-2-14-26-21)20-9-12-23(13-10-20)16-17-3-1-11-22-15-17/h1-8,11,14-15,20H,9-10,12-13,16H2
InChIKeyPQQPJJFWRQMUIP-UHFFFAOYSA-N
XLogP3.78
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine (CID 24730929) is 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine is O=S(=O)(c1ccc(-c2ccco2)cc1)C1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine?
The InChIKey is PQQPJJFWRQMUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c24-27(25,19-7-5-18(6-8-19)21-4-2-14-26-21)20-9-12-23(13-10-20)16-17-3-1-11-22-15-17/h1-8,11,14-15,20H,9-10,12-13,16H2.
What are the key properties of 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine?
3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine has a molecular weight of 382.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 24730929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).