2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide

C12H22N4O3S — CID 115992668

IUPAC2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide
SMILESCOCCN(C)CCNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C12H22N4O3S/c1-16(8-9-19-2)7-6-15-10-4-3-5-11(12(10)13)20(14,17)18/h3-5,15H,6-9,13H2,1-2H3,(H2,14,17,18)
InChIKeyOQPNFRAXNPYNOM-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.09
Rot. Bonds8

About 2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide

2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide (PubChem CID 115992668) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide
PubChem CID115992668
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide
SMILESCOCCN(C)CCNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C12H22N4O3S/c1-16(8-9-19-2)7-6-15-10-4-3-5-11(12(10)13)20(14,17)18/h3-5,15H,6-9,13H2,1-2H3,(H2,14,17,18)
InChIKeyOQPNFRAXNPYNOM-UHFFFAOYSA-N
XLogP-0.09
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide 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

2-amino-3-(3-methoxypropylamino)benzenesulfonamide
CID 112674652
3-chloro-1-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 104834477
2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106036483
2-amino-3-[2-[cyclopentyl(methyl)amino]ethylamino]benzenesulfonamide
CID 115992729
N'-(2-methoxyethyl)-N'-methyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 63076409
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
2-amino-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]benzenesulfonamide
CID 115992256
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
CID 112674811
6-N-[2-[2-methoxyethyl(methyl)amino]ethyl]quinoline-5,6-diamine
CID 62844494
3-amino-4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
CID 62843446
2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 112674921
2-amino-3-(2-cyclopentyloxyethylamino)benzenesulfonamide
CID 115992752

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide (CID 115992668) is 2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide is COCCN(C)CCNc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide?
The InChIKey is OQPNFRAXNPYNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-16(8-9-19-2)7-6-15-10-4-3-5-11(12(10)13)20(14,17)18/h3-5,15H,6-9,13H2,1-2H3,(H2,14,17,18).
What are the key properties of 2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide?
2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenesulfonamide is sourced from PubChem (CID 115992668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).