[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride

C12H16ClF3N2O2S — CID 119969331

IUPAC[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O2S.ClH/c13-8-5-10(14)12(11(15)6-8)20(18,19)17-4-2-1-3-9(17)7-16;/h5-6,9H,1-4,7,16H2;1H
InChIKeyGEXKRECOHJLAPA-UHFFFAOYSA-N
MW344.79 g/mol
LogP2.03
Rot. Bonds3

About [1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride

[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride (PubChem CID 119969331) has the molecular formula C12H16ClF3N2O2S and a molecular weight of 344.79 g/mol. Its IUPAC name is [1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
PubChem CID119969331
Molecular FormulaC12H16ClF3N2O2S
Molecular Weight344.79 g/mol
Exact Mass344.06
IUPAC Name[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1S(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O2S.ClH/c13-8-5-10(14)12(11(15)6-8)20(18,19)17-4-2-1-3-9(17)7-16;/h5-6,9H,1-4,7,16H2;1H
InChIKeyGEXKRECOHJLAPA-UHFFFAOYSA-N
XLogP2.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969346
N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 63249919
[1-(5-bromo-2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969412
2-[1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61372459
[1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988783
1-[1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79539023
2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide
CID 106056268
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969291
1-(2,4,6-trifluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 60971816
[(2S)-1-(2,5-difluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124695565
[1-(2,4,6-trimethoxyphenyl)sulfonylpiperidin-2-yl]methanamine
CID 120874755

Frequently Asked Questions

What is the IUPAC name of [1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride (CID 119969331) is [1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCCN1S(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of [1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is GEXKRECOHJLAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S.ClH/c13-8-5-10(14)12(11(15)6-8)20(18,19)17-4-2-1-3-9(17)7-16;/h5-6,9H,1-4,7,16H2;1H.
What are the key properties of [1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride?
[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 344.79 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119969331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).