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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Related Compounds

(2S,4S)-1-(1-ethylpyrazol-4-yl)sulfonyl-2-(furan-2-yl)-4-methylpiperidine
CID 129421234
2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99847485
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine
CID 71978636
3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid
CID 104937269
cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132569
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine
CID 110271118
[2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 71989316
3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95824618
1-[4-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-3-nitrophenyl]sulfonyl-4-methylpiperazine
CID 133334681

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).