5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine

C13H19ClN2O3S — CID 136574343

IUPAC5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine
SMILESCOCCS(=O)(=O)N1CCC(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C13H19ClN2O3S/c1-19-8-9-20(17,18)16-6-4-11(5-7-16)13-3-2-12(14)10-15-13/h2-3,10-11H,4-9H2,1H3
InChIKeyMSPJJSQISAWQBW-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.89
Rot. Bonds5

About 5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine

5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine (PubChem CID 136574343) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine
PubChem CID136574343
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine
SMILESCOCCS(=O)(=O)N1CCC(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C13H19ClN2O3S/c1-19-8-9-20(17,18)16-6-4-11(5-7-16)13-3-2-12(14)10-15-13/h2-3,10-11H,4-9H2,1H3
InChIKeyMSPJJSQISAWQBW-UHFFFAOYSA-N
XLogP1.89
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine?
The IUPAC name of 5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine (CID 136574343) is 5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine.
What is the SMILES notation for 5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine?
The canonical SMILES for 5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine is COCCS(=O)(=O)N1CCC(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine?
The InChIKey is MSPJJSQISAWQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-19-8-9-20(17,18)16-6-4-11(5-7-16)13-3-2-12(14)10-15-13/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine?
5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine has a molecular weight of 318.83 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyridine is sourced from PubChem (CID 136574343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).