2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine

C11H17NO2S — CID 64640024

IUPAC2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
SMILESCNCCS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C11H17NO2S/c1-9-4-5-11(8-10(9)2)15(13,14)7-6-12-3/h4-5,8,12H,6-7H2,1-3H3
InChIKeyZJSUCZYJXQSDPL-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.30
Rot. Bonds4

About 2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine

2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine (PubChem CID 64640024) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
PubChem CID64640024
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
SMILESCNCCS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C11H17NO2S/c1-9-4-5-11(8-10(9)2)15(13,14)7-6-12-3/h4-5,8,12H,6-7H2,1-3H3
InChIKeyZJSUCZYJXQSDPL-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine
CID 95456204
3-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-1-amine
CID 117036247
N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine
CID 64675325
2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine
CID 116853368
2-(4-bromophenyl)sulfonyl-N-methylethanamine
CID 60641137
6-(3,4-dimethylphenyl)sulfonylhexan-2-one
CID 64642717
1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine
CID 64640027
5-[2-(methylamino)ethylsulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 116853397
2-(benzenesulfonyl)-N-methylethanamine;hydrochloride
CID 155973548
N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine
CID 116853402
4-(4-methoxybutylsulfonyl)-1,2-dimethylbenzene
CID 56793096
gallium tris(3,4-dimethylbenzenesulfonate)
CID 22603969

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine (CID 64640024) is 2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine is CNCCS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine?
The InChIKey is ZJSUCZYJXQSDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9-4-5-11(8-10(9)2)15(13,14)7-6-12-3/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine?
2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine is sourced from PubChem (CID 64640024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).