5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine

C13H19ClN2O3S — CID 71798967

IUPAC5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine
SMILESCC(C)S(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C13H19ClN2O3S/c1-10(2)20(17,18)16-7-5-12(6-8-16)19-13-4-3-11(14)9-15-13/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyVYXXZXYJEOTILM-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.32
Rot. Bonds4

About 5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine

5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine (PubChem CID 71798967) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine.

Molecular Properties

Compound Name5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine
PubChem CID71798967
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine
SMILESCC(C)S(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C13H19ClN2O3S/c1-10(2)20(17,18)16-7-5-12(6-8-16)19-13-4-3-11(14)9-15-13/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyVYXXZXYJEOTILM-UHFFFAOYSA-N
XLogP2.32
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpropan-2-one
CID 23133619
5-chloro-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798965
5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine
CID 122248574
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide
CID 70111198
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-N-hydroxypiperidine-2-carboxamide
CID 22615791
3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135489334
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one
CID 91593916
5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione
CID 23133566
4-(1-propan-2-ylsulfonylpyrrolidin-3-yl)oxypyridine
CID 121017469
6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide
CID 91914144
1-[4-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
CID 122248570
5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248528

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine?
The IUPAC name of 5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine (CID 71798967) is 5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine.
What is the SMILES notation for 5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine?
The canonical SMILES for 5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine is CC(C)S(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine?
The InChIKey is VYXXZXYJEOTILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-10(2)20(17,18)16-7-5-12(6-8-16)19-13-4-3-11(14)9-15-13/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of 5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine?
5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine has a molecular weight of 318.83 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine is sourced from PubChem (CID 71798967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).