1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride

C14H22ClNO3S — CID 3050839

IUPAC1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)CCN2CCCCC2)cc1.Cl
InChIInChI=1S/C14H21NO3S.ClH/c1-18-13-5-7-14(8-6-13)19(16,17)12-11-15-9-3-2-4-10-15;/h5-8H,2-4,9-12H2,1H3;1H
InChIKeyJNGSTOIYFKETMI-UHFFFAOYSA-N
MW319.85 g/mol
LogP2.38
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride

1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride (PubChem CID 3050839) has the molecular formula C14H22ClNO3S and a molecular weight of 319.85 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride
PubChem CID3050839
Molecular FormulaC14H22ClNO3S
Molecular Weight319.85 g/mol
Exact Mass319.10
IUPAC Name1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)CCN2CCCCC2)cc1.Cl
InChIInChI=1S/C14H21NO3S.ClH/c1-18-13-5-7-14(8-6-13)19(16,17)12-11-15-9-3-2-4-10-15;/h5-8H,2-4,9-12H2,1H3;1H
InChIKeyJNGSTOIYFKETMI-UHFFFAOYSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.85
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride (CID 3050839) is 1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride is COc1ccc(S(=O)(=O)CCN2CCCCC2)cc1.Cl.
What is the InChIKey of 1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride?
The InChIKey is JNGSTOIYFKETMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S.ClH/c1-18-13-5-7-14(8-6-13)19(16,17)12-11-15-9-3-2-4-10-15;/h5-8H,2-4,9-12H2,1H3;1H.
What are the key properties of 1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride?
1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride has a molecular weight of 319.85 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)sulfonylethyl]piperidine;hydrochloride is sourced from PubChem (CID 3050839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).