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

C13H17F3N2O2S — CID 115312519

IUPAC2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2S/c1-9-8-11(17)6-7-18(9)21(19,20)12-4-2-10(3-5-12)13(14,15)16/h2-5,9,11H,6-8,17H2,1H3
InChIKeyMNUGRVCLZQNUFE-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.21
Rot. Bonds2

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

2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine (PubChem CID 115312519) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
PubChem CID115312519
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2S/c1-9-8-11(17)6-7-18(9)21(19,20)12-4-2-10(3-5-12)13(14,15)16/h2-5,9,11H,6-8,17H2,1H3
InChIKeyMNUGRVCLZQNUFE-UHFFFAOYSA-N
XLogP2.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-1-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-2-methylpiperidin-4-amine
CID 124694863
4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide
CID 115312529
(2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine
CID 124591921
1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 113284452
(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 124573846
2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
CID 113284464
2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine
CID 126784254
2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine
CID 115312618
2-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-amine
CID 115312594
6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124692940
2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine
CID 115312556
(2S,4R)-2-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine
CID 124694947

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine (CID 115312519) is 2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine is CC1CC(N)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
The InChIKey is MNUGRVCLZQNUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-9-8-11(17)6-7-18(9)21(19,20)12-4-2-10(3-5-12)13(14,15)16/h2-5,9,11H,6-8,17H2,1H3.
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine?
2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine has a molecular weight of 322.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine is sourced from PubChem (CID 115312519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).