3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine

C20H24N2O3S — CID 71801304

IUPAC3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C20H24N2O3S/c23-26(24,20-8-7-16-4-1-2-5-17(16)14-20)22-12-9-18(10-13-22)25-19-6-3-11-21-15-19/h3,6-8,11,14-15,18H,1-2,4-5,9-10,12-13H2
InChIKeyKJYSCKDWMRMEGH-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.19
Rot. Bonds4

About 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine

3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine (PubChem CID 71801304) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine
PubChem CID71801304
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C20H24N2O3S/c23-26(24,20-8-7-16-4-1-2-5-17(16)14-20)22-12-9-18(10-13-22)25-19-6-3-11-21-15-19/h3,6-8,11,14-15,18H,1-2,4-5,9-10,12-13H2
InChIKeyKJYSCKDWMRMEGH-UHFFFAOYSA-N
XLogP3.19
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine?
The IUPAC name of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine (CID 71801304) is 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine.
What is the SMILES notation for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine?
The canonical SMILES for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine?
The InChIKey is KJYSCKDWMRMEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-26(24,20-8-7-16-4-1-2-5-17(16)14-20)22-12-9-18(10-13-22)25-19-6-3-11-21-15-19/h3,6-8,11,14-15,18H,1-2,4-5,9-10,12-13H2.
What are the key properties of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine?
3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine has a molecular weight of 372.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]oxypyridine is sourced from PubChem (CID 71801304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).