N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine

C11H17NO2S — CID 117327514

IUPACN-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine
SMILESCNCCc1ccc(C)cc1S(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-9-4-5-10(6-7-12-2)11(8-9)15(3,13)14/h4-5,8,12H,6-7H2,1-3H3
InChIKeyUCBLWEQFBLBTQH-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.16
Rot. Bonds4

About N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine

N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine (PubChem CID 117327514) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine
PubChem CID117327514
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine
SMILESCNCCc1ccc(C)cc1S(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-9-4-5-10(6-7-12-2)11(8-9)15(3,13)14/h4-5,8,12H,6-7H2,1-3H3
InChIKeyUCBLWEQFBLBTQH-UHFFFAOYSA-N
XLogP1.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-2-methylsulfonylphenyl)propanal
CID 117325699
3-(4-methyl-2-methylsulfonylphenyl)propan-1-amine
CID 117327500
2-(2-ethyl-4-methylphenyl)-N-methylethanamine
CID 142812232
N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine
CID 117327512
2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine
CID 117334335
2,2-dimethyl-3-(4-methyl-2-methylsulfonylphenyl)propanoic acid
CID 117429237
2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide
CID 67901778
2-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 83878523
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965080
N-[2-(2,4-dimethylphenyl)ethyl]-3-methylsulfonyl-2-nitroaniline
CID 133393743
2-(2-formamidoethyl)-4-methylbenzenesulfonic acid
CID 88823138
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
CID 47429985

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine (CID 117327514) is N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine is CNCCc1ccc(C)cc1S(C)(=O)=O.
What is the InChIKey of N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine?
The InChIKey is UCBLWEQFBLBTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9-4-5-10(6-7-12-2)11(8-9)15(3,13)14/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine?
N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 117327514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).