5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine

C15H24N2O3S — CID 90566569

IUPAC5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine
SMILESCCCCS(=O)(=O)N1CCC(Oc2ccc(C)nc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-4-11-21(18,19)17-9-7-14(8-10-17)20-15-6-5-13(2)16-12-15/h5-6,12,14H,3-4,7-11H2,1-2H3
InChIKeyBYOPBESKWPOKIN-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.36
Rot. Bonds6

About 5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine

5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine (PubChem CID 90566569) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine.

Molecular Properties

Compound Name5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine
PubChem CID90566569
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine
SMILESCCCCS(=O)(=O)N1CCC(Oc2ccc(C)nc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-4-11-21(18,19)17-9-7-14(8-10-17)20-15-6-5-13(2)16-12-15/h5-6,12,14H,3-4,7-11H2,1-2H3
InChIKeyBYOPBESKWPOKIN-UHFFFAOYSA-N
XLogP2.36
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine?
The IUPAC name of 5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine (CID 90566569) is 5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine.
What is the SMILES notation for 5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine?
The canonical SMILES for 5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine is CCCCS(=O)(=O)N1CCC(Oc2ccc(C)nc2)CC1.
What is the InChIKey of 5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine?
The InChIKey is BYOPBESKWPOKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-4-11-21(18,19)17-9-7-14(8-10-17)20-15-6-5-13(2)16-12-15/h5-6,12,14H,3-4,7-11H2,1-2H3.
What are the key properties of 5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine?
5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine has a molecular weight of 312.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine is sourced from PubChem (CID 90566569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).