2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine

C13H17N3O2S — CID 43487152

IUPAC2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
SMILESCNC(Cc1ncc[nH]1)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C13H17N3O2S/c1-14-12(9-13-15-6-7-16-13)10-4-3-5-11(8-10)19(2,17)18/h3-8,12,14H,9H2,1-2H3,(H,15,16)
InChIKeyIGTSCTQAXBHODY-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.32
Rot. Bonds5

About 2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine

2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine (PubChem CID 43487152) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
PubChem CID43487152
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
SMILESCNC(Cc1ncc[nH]1)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C13H17N3O2S/c1-14-12(9-13-15-6-7-16-13)10-4-3-5-11(8-10)19(2,17)18/h3-8,12,14H,9H2,1-2H3,(H,15,16)
InChIKeyIGTSCTQAXBHODY-UHFFFAOYSA-N
XLogP1.32
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine 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-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide
CID 17486679
2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 105008924
1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487092
[1-(3-methylsulfonylphenyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315250
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487055
N-[1-(3-chlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498055
2-(1H-imidazol-2-yl)-N-methyl-1-(1H-pyrazol-5-yl)ethanamine
CID 82239716
2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 43607987
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
CID 17498145
1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 80536178

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine (CID 43487152) is 2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine is CNC(Cc1ncc[nH]1)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine?
The InChIKey is IGTSCTQAXBHODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-14-12(9-13-15-6-7-16-13)10-4-3-5-11(8-10)19(2,17)18/h3-8,12,14H,9H2,1-2H3,(H,15,16).
What are the key properties of 2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine?
2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine has a molecular weight of 279.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 43487152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).