N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride

C12H16ClF3N2O2S — CID 120714757

IUPACN-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C1.Cl
InChIInChI=1S/C12H15F3N2O2S.ClH/c1-16-8-3-2-4-17(7-8)20(18,19)9-5-10(13)12(15)11(14)6-9;/h5-6,8,16H,2-4,7H2,1H3;1H
InChIKeyGWVPHINDRPZKMO-UHFFFAOYSA-N
MW344.79 g/mol
LogP1.90
Rot. Bonds3

About N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride

N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 120714757) has the molecular formula C12H16ClF3N2O2S and a molecular weight of 344.79 g/mol. Its IUPAC name is N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
PubChem CID120714757
Molecular FormulaC12H16ClF3N2O2S
Molecular Weight344.79 g/mol
Exact Mass344.06
IUPAC NameN-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C1.Cl
InChIInChI=1S/C12H15F3N2O2S.ClH/c1-16-8-3-2-4-17(7-8)20(18,19)9-5-10(13)12(15)11(14)6-9;/h5-6,8,16H,2-4,7H2,1H3;1H
InChIKeyGWVPHINDRPZKMO-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;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

1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715271
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714741
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
CID 62534665
1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
(3R)-1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962846
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715285
N-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714915
[1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972228
4-[3-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 62536756
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride (CID 120714757) is N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride is CNC1CCCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C1.Cl.
What is the InChIKey of N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is GWVPHINDRPZKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S.ClH/c1-16-8-3-2-4-17(7-8)20(18,19)9-5-10(13)12(15)11(14)6-9;/h5-6,8,16H,2-4,7H2,1H3;1H.
What are the key properties of N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride?
N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 344.79 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120714757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).