N-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride

C10H16ClNO2S — CID 43810479

IUPACN-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride
SMILESCNC(C)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C10H15NO2S.ClH/c1-8(11-2)9-4-6-10(7-5-9)14(3,12)13;/h4-8,11H,1-3H3;1H
InChIKeyRYXUELNRGLHLNW-UHFFFAOYSA-N
MW249.76 g/mol
LogP1.79
Rot. Bonds3

About N-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride

N-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride (PubChem CID 43810479) has the molecular formula C10H16ClNO2S and a molecular weight of 249.76 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride
PubChem CID43810479
Molecular FormulaC10H16ClNO2S
Molecular Weight249.76 g/mol
Exact Mass249.06
IUPAC NameN-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride
SMILESCNC(C)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C10H15NO2S.ClH/c1-8(11-2)9-4-6-10(7-5-9)14(3,12)13;/h4-8,11H,1-3H3;1H
InChIKeyRYXUELNRGLHLNW-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.76
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(4-methylsulfonylphenyl)ethanamine;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

2-N-Ethylamino-1-(4-methylthiophenyl)propane
CID 21978439
4-[1-(Methylamino)ethyl]benzene-1-sulfonamide
CID 4961836
N-methyl-1-[4-(methylsulfanyl)phenyl]propan-2-amine
CID 46882957
7-Methylsulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 23336575
4-Methylsulfonylbenzylamine
CID 57421
2-N-Allylamino-1-(4-methylthiophenyl)propan
CID 44613067
2-N-Methylamino-1-(4-ethylthiophenyl)propane
CID 44613451
2-N-Ethylamino-1-(4-ethylthiophenyl)propane
CID 44613452
2-N-Methylamino-1-(4-methylthiophenyl)butane
CID 44613575
2-N-Ethylamino-1-(4-methylthiophenyl)butane
CID 44613576
2-N-(n-Propyl)amino-1-(4-methylthiophenyl)butane
CID 44613577
2-N-Cyclopropylamino-1-(4-methylthiophenyl)butane
CID 44613579

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride?
The IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride (CID 43810479) is N-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride is CNC(C)c1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of N-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride?
The InChIKey is RYXUELNRGLHLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S.ClH/c1-8(11-2)9-4-6-10(7-5-9)14(3,12)13;/h4-8,11H,1-3H3;1H.
What are the key properties of N-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride?
N-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride has a molecular weight of 249.76 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 43810479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).