1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride

C13H20Cl2N2O2S — CID 119975012

IUPAC1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1.Cl
InChIInChI=1S/C13H19ClN2O2S.ClH/c1-10(15)11-6-8-16(9-7-11)19(17,18)13-5-3-2-4-12(13)14;/h2-5,10-11H,6-9,15H2,1H3;1H
InChIKeyXDBAMFGSJIILQP-UHFFFAOYSA-N
MW339.29 g/mol
LogP2.51
Rot. Bonds3

About 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride

1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (PubChem CID 119975012) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
PubChem CID119975012
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC Name1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1.Cl
InChIInChI=1S/C13H19ClN2O2S.ClH/c1-10(15)11-6-8-16(9-7-11)19(17,18)13-5-3-2-4-12(13)14;/h2-5,10-11H,6-9,15H2,1H3;1H
InChIKeyXDBAMFGSJIILQP-UHFFFAOYSA-N
XLogP2.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-dichlorophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63596925
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974696
1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974773
1-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63596741
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974697
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597276
N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 113002892
1-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583142
1-[1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120582967
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183
1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974584
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (CID 119975012) is 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is CC(N)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1.Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is XDBAMFGSJIILQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S.ClH/c1-10(15)11-6-8-16(9-7-11)19(17,18)13-5-3-2-4-12(13)14;/h2-5,10-11H,6-9,15H2,1H3;1H.
What are the key properties of 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 339.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119975012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).