N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

C13H18ClF3N2O2S — CID 119990859

IUPACN-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H17F3N2O2S.ClH/c1-17-9-11-5-3-7-18(11)21(19,20)12-6-2-4-10(8-12)13(14,15)16;/h2,4,6,8,11,17H,3,5,7,9H2,1H3;1H
InChIKeyNLYJXITUKCQKGW-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.50
Rot. Bonds4

About N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride

N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119990859) has the molecular formula C13H18ClF3N2O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119990859
Molecular FormulaC13H18ClF3N2O2S
Molecular Weight358.81 g/mol
Exact Mass358.07
IUPAC NameN-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
SMILESCNCC1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H17F3N2O2S.ClH/c1-17-9-11-5-3-7-18(11)21(19,20)12-6-2-4-10(8-12)13(14,15)16;/h2,4,6,8,11,17H,3,5,7,9H2,1H3;1H
InChIKeyNLYJXITUKCQKGW-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride 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

N-methyl-1-[1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119990906
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]acetic acid
CID 57436798
3-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-amine
CID 107070709
1-[1-[2-chloro-6-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119990928
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
CID 47026868
N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991254
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 81484757
(2R,3R)-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 122105471
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
2-methyl-5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylisoindole-1,3-dione;hydrochloride
CID 119991239
1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965190
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63249776

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride (CID 119990859) is N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is CNCC1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is NLYJXITUKCQKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S.ClH/c1-17-9-11-5-3-7-18(11)21(19,20)12-6-2-4-10(8-12)13(14,15)16;/h2,4,6,8,11,17H,3,5,7,9H2,1H3;1H.
What are the key properties of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride?
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 358.81 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119990859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).