1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride

C14H23ClN2O2S — CID 119984215

IUPAC1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(C)N)C2)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-11-5-7-14(8-6-11)19(17,18)16-9-3-4-13(10-16)12(2)15;/h5-8,12-13H,3-4,9-10,15H2,1-2H3;1H
InChIKeyMLLNFPYKZYHPGE-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.16
Rot. Bonds3

About 1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride

1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride (PubChem CID 119984215) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
PubChem CID119984215
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(C)N)C2)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-11-5-7-14(8-6-11)19(17,18)16-9-3-4-13(10-16)12(2)15;/h5-8,12-13H,3-4,9-10,15H2,1-2H3;1H
InChIKeyMLLNFPYKZYHPGE-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
1-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984263
(1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124684747
1-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 86813045
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119984385
1-[1-[4-(methylsulfonylmethyl)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984637
ethyl 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119984527
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119984380
(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124557704
2-[4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetonitrile
CID 79203418
(1S)-1-[(3S)-1-(2-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678238
1-[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583154

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride (CID 119984215) is 1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride is Cc1ccc(S(=O)(=O)N2CCCC(C(C)N)C2)cc1.Cl.
What is the InChIKey of 1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is MLLNFPYKZYHPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-11-5-7-14(8-6-11)19(17,18)16-9-3-4-13(10-16)12(2)15;/h5-8,12-13H,3-4,9-10,15H2,1-2H3;1H.
What are the key properties of 1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119984215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).