N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine

C11H17NO2S — CID 117327512

IUPACN-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine
SMILESCNCCc1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C11H17NO2S/c1-9-4-5-11(15(3,13)14)8-10(9)6-7-12-2/h4-5,8,12H,6-7H2,1-3H3
InChIKeySCWOCPAQZUBGGN-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.16
Rot. Bonds4

About N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine

N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine (PubChem CID 117327512) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine
PubChem CID117327512
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine
SMILESCNCCc1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C11H17NO2S/c1-9-4-5-11(15(3,13)14)8-10(9)6-7-12-2/h4-5,8,12H,6-7H2,1-3H3
InChIKeySCWOCPAQZUBGGN-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

N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine
CID 117327514
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383
1,2-dimethyl-4-methylsulfonylbenzene;ethane
CID 142336805
1-N-[2-(2-methylphenyl)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 79756350
2-methyl-3-(2-methyl-5-methylsulfonylphenyl)propanoic acid
CID 117394355
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
2-methyl-N-[3-(methylamino)propyl]-5-methylsulfonylbenzamide;hydrochloride
CID 119432199
N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine
CID 64675325
1-[(2-methyl-5-methylsulfonylphenyl)methyl]piperazine
CID 117424869
N-methyl-3-(1-methyl-5-methylsulfonylindol-3-yl)propan-1-amine
CID 83985061
2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 64640024
2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 62656822

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine (CID 117327512) is N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine is CNCCc1cc(S(C)(=O)=O)ccc1C.
What is the InChIKey of N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine?
The InChIKey is SCWOCPAQZUBGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9-4-5-11(15(3,13)14)8-10(9)6-7-12-2/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine?
N-methyl-2-(2-methyl-5-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-(2-methyl-5-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 117327512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).