1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine

C13H21NO4S2 — CID 64646609

IUPAC1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
SMILESCc1ccc(C(N)CS(=O)(=O)CCS(C)(=O)=O)c(C)c1
InChIInChI=1S/C13H21NO4S2/c1-10-4-5-12(11(2)8-10)13(14)9-20(17,18)7-6-19(3,15)16/h4-5,8,13H,6-7,9,14H2,1-3H3
InChIKeyVWTSZYZINFSEOO-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.76
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine

1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine (PubChem CID 64646609) has the molecular formula C13H21NO4S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
PubChem CID64646609
Molecular FormulaC13H21NO4S2
Molecular Weight319.45 g/mol
Exact Mass319.09
IUPAC Name1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
SMILESCc1ccc(C(N)CS(=O)(=O)CCS(C)(=O)=O)c(C)c1
InChIInChI=1S/C13H21NO4S2/c1-10-4-5-12(11(2)8-10)13(14)9-20(17,18)7-6-19(3,15)16/h4-5,8,13H,6-7,9,14H2,1-3H3
InChIKeyVWTSZYZINFSEOO-UHFFFAOYSA-N
XLogP0.76
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)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

1-(2,4-dimethylphenyl)-2-pentylsulfonylethanamine
CID 107758585
1-(2,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148088
1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 82360037
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-(2,4-dimethylphenyl)-4-methylsulfonylbutan-1-ol
CID 65147990
1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine
CID 64646620
2-(3-bromophenyl)sulfonyl-1-(2,4-dimethylphenyl)ethanamine
CID 64674245
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
[1-(2,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290842
1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine
CID 107759819
methyl 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfonylpropanoate
CID 64675155

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine (CID 64646609) is 1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine is Cc1ccc(C(N)CS(=O)(=O)CCS(C)(=O)=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine?
The InChIKey is VWTSZYZINFSEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S2/c1-10-4-5-12(11(2)8-10)13(14)9-20(17,18)7-6-19(3,15)16/h4-5,8,13H,6-7,9,14H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine?
1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine has a molecular weight of 319.45 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine is sourced from PubChem (CID 64646609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).