3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine

C15H18N2O3S — CID 99847176

IUPAC3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine
SMILESC[C@@H]1CCN(S(=O)(=O)c2cccnc2)[C@@H](c2ccco2)C1
InChIInChI=1S/C15H18N2O3S/c1-12-6-8-17(14(10-12)15-5-3-9-20-15)21(18,19)13-4-2-7-16-11-13/h2-5,7,9,11-12,14H,6,8,10H2,1H3/t12-,14-/m1/s1
InChIKeyBQYBYBDEZLLMFZ-TZMCWYRMSA-N
MW306.39 g/mol
LogP2.84
Rot. Bonds3

About 3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine

3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine (PubChem CID 99847176) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine
PubChem CID99847176
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine
SMILESC[C@@H]1CCN(S(=O)(=O)c2cccnc2)[C@@H](c2ccco2)C1
InChIInChI=1S/C15H18N2O3S/c1-12-6-8-17(14(10-12)15-5-3-9-20-15)21(18,19)13-4-2-7-16-11-13/h2-5,7,9,11-12,14H,6,8,10H2,1H3/t12-,14-/m1/s1
InChIKeyBQYBYBDEZLLMFZ-TZMCWYRMSA-N
XLogP2.84
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine (CID 99847176) is 3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine is C[C@@H]1CCN(S(=O)(=O)c2cccnc2)[C@@H](c2ccco2)C1.
What is the InChIKey of 3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine?
The InChIKey is BQYBYBDEZLLMFZ-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-12-6-8-17(14(10-12)15-5-3-9-20-15)21(18,19)13-4-2-7-16-11-13/h2-5,7,9,11-12,14H,6,8,10H2,1H3/t12-,14-/m1/s1.
What are the key properties of 3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine?
3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine has a molecular weight of 306.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 99847176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).