1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine

C11H18N2O3S — CID 61427697

IUPAC1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine
SMILESCOCCN(C)c1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C11H18N2O3S/c1-13(6-7-16-2)11-5-4-9(8-10(11)12)17(3,14)15/h4-5,8H,6-7,12H2,1-3H3
InChIKeyIZFKUUTXAANRSG-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.75
Rot. Bonds5

About 1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine

1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine (PubChem CID 61427697) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine
PubChem CID61427697
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine
SMILESCOCCN(C)c1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C11H18N2O3S/c1-13(6-7-16-2)11-5-4-9(8-10(11)12)17(3,14)15/h4-5,8H,6-7,12H2,1-3H3
InChIKeyIZFKUUTXAANRSG-UHFFFAOYSA-N
XLogP0.75
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-butyl-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine
CID 43447947
1-N-methyl-1-N-(2-methylsulfanylethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 112656763
1-N-methyl-4-methylsulfonyl-1-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79476498
1-N-methyl-1-N-(2-methylbutyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43382637
3-amino-4-[methyl(3-methylbutyl)amino]benzenesulfonamide
CID 61429947
2-[2-amino-N-(cyanomethyl)-4-methylsulfonylanilino]acetonitrile
CID 43382624
1-N-methyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 43588143
4-N-(2-methoxyethyl)-4-N-methylpyridine-3,4-diamine
CID 61360000
3-(2-amino-N-methyl-4-methylsulfonylanilino)butanenitrile
CID 63223014
1-N-ethyl-4-methylsulfonyl-1-N-phenylbenzene-1,2-diamine
CID 43447936
3-amino-4-bromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 115328826
1-N-butyl-1-N-cyclopropyl-4-methylsulfonylbenzene-1,2-diamine
CID 61440950

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine (CID 61427697) is 1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine is COCCN(C)c1ccc(S(C)(=O)=O)cc1N.
What is the InChIKey of 1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine?
The InChIKey is IZFKUUTXAANRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-13(6-7-16-2)11-5-4-9(8-10(11)12)17(3,14)15/h4-5,8H,6-7,12H2,1-3H3.
What are the key properties of 1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine?
1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine is sourced from PubChem (CID 61427697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).