3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide

C14H25N3O3S — CID 79885175

IUPAC3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1cc(C)cc(N)c1C
InChIInChI=1S/C14H25N3O3S/c1-11-9-13(15)12(2)14(10-11)21(18,19)16-5-6-17(3)7-8-20-4/h9-10,16H,5-8,15H2,1-4H3
InChIKeyZLDQKEBKBGXVFY-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.74
Rot. Bonds8

About 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide

3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 79885175) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID79885175
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1cc(C)cc(N)c1C
InChIInChI=1S/C14H25N3O3S/c1-11-9-13(15)12(2)14(10-11)21(18,19)16-5-6-17(3)7-8-20-4/h9-10,16H,5-8,15H2,1-4H3
InChIKeyZLDQKEBKBGXVFY-UHFFFAOYSA-N
XLogP0.74
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide 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

5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide
CID 62843792
2-amino-5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845016
6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide
CID 62844834
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,5-dimethylbenzenesulfonamide
CID 79889329
3-[2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108138
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183
3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide
CID 104758528
2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62850287
5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 106056423
3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 79889074
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 79889906
2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62842731

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide (CID 79885175) is 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide is COCCN(C)CCNS(=O)(=O)c1cc(C)cc(N)c1C.
What is the InChIKey of 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is ZLDQKEBKBGXVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-11-9-13(15)12(2)14(10-11)21(18,19)16-5-6-17(3)7-8-20-4/h9-10,16H,5-8,15H2,1-4H3.
What are the key properties of 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide?
3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79885175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).