3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine

C16H20N2O3S2 — CID 71801139

IUPAC3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C16H20N2O3S2/c19-23(20,16-4-1-7-17-11-16)18-8-5-14(6-9-18)12-22-13-15-3-2-10-21-15/h1-4,7,10-11,14H,5-6,8-9,12-13H2
InChIKeyOEUJYRDJIDHAGB-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.01
Rot. Bonds6

About 3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine

3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine (PubChem CID 71801139) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine
PubChem CID71801139
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C16H20N2O3S2/c19-23(20,16-4-1-7-17-11-16)18-8-5-14(6-9-18)12-22-13-15-3-2-10-21-15/h1-4,7,10-11,14H,5-6,8-9,12-13H2
InChIKeyOEUJYRDJIDHAGB-UHFFFAOYSA-N
XLogP3.01
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine (CID 71801139) is 3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine is O=S(=O)(c1cccnc1)N1CCC(CSCc2ccco2)CC1.
What is the InChIKey of 3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine?
The InChIKey is OEUJYRDJIDHAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c19-23(20,16-4-1-7-17-11-16)18-8-5-14(6-9-18)12-22-13-15-3-2-10-21-15/h1-4,7,10-11,14H,5-6,8-9,12-13H2.
What are the key properties of 3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine?
3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine has a molecular weight of 352.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 71801139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).