1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride

C14H19Cl2F3N2O2S — CID 120762959

IUPAC1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H18ClF3N2O2S.ClH/c1-9(19)13-4-2-3-5-20(13)23(21,22)12-7-10(14(16,17)18)6-11(15)8-12;/h6-9,13H,2-5,19H2,1H3;1H
InChIKeyGUSPGYDCUNKWTD-UHFFFAOYSA-N
MW407.29 g/mol
LogP3.67
Rot. Bonds3

About 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride

1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride (PubChem CID 120762959) has the molecular formula C14H19Cl2F3N2O2S and a molecular weight of 407.29 g/mol. Its IUPAC name is 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
PubChem CID120762959
Molecular FormulaC14H19Cl2F3N2O2S
Molecular Weight407.29 g/mol
Exact Mass406.05
IUPAC Name1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H18ClF3N2O2S.ClH/c1-9(19)13-4-2-3-5-20(13)23(21,22)12-7-10(14(16,17)18)6-11(15)8-12;/h6-9,13H,2-5,19H2,1H3;1H
InChIKeyGUSPGYDCUNKWTD-UHFFFAOYSA-N
XLogP3.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965190
[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]methanamine
CID 120707945
1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965267
1-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965265
1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965497
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 120999573
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965451
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-2-fluorobenzonitrile;hydrochloride
CID 119965338
1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine
CID 63255090
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965309
3-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 125118493
(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124570360

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride (CID 120762959) is 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride is CC(N)C1CCCCN1S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is GUSPGYDCUNKWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O2S.ClH/c1-9(19)13-4-2-3-5-20(13)23(21,22)12-7-10(14(16,17)18)6-11(15)8-12;/h6-9,13H,2-5,19H2,1H3;1H.
What are the key properties of 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 407.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120762959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).