N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride

C13H18ClF3N2O2S — CID 119980070

IUPACN-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.Cl
InChIInChI=1S/C13H17F3N2O2S.ClH/c1-17-10-6-8-18(9-7-10)21(19,20)12-5-3-2-4-11(12)13(14,15)16;/h2-5,10,17H,6-9H2,1H3;1H
InChIKeyLZSHSLONGVGXFQ-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.50
Rot. Bonds3

About N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride

N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119980070) has the molecular formula C13H18ClF3N2O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119980070
Molecular FormulaC13H18ClF3N2O2S
Molecular Weight358.81 g/mol
Exact Mass358.07
IUPAC NameN-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.Cl
InChIInChI=1S/C13H17F3N2O2S.ClH/c1-17-10-6-8-18(9-7-10)21(19,20)12-5-3-2-4-11(12)13(14,15)16;/h2-5,10,17H,6-9H2,1H3;1H
InChIKeyLZSHSLONGVGXFQ-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanesulfonamide
CID 24678902
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980033
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 43605303
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912
1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 120710068
N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine
CID 171336242
3-bromo-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 80667317
4-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-ol
CID 103896734
(2S)-N-cyclopentyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide
CID 2454173
N-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119563131

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride (CID 119980070) is N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride is CNC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.Cl.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is LZSHSLONGVGXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S.ClH/c1-17-10-6-8-18(9-7-10)21(19,20)12-5-3-2-4-11(12)13(14,15)16;/h2-5,10,17H,6-9H2,1H3;1H.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride?
N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 358.81 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119980070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).