2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide

C13H22N2O4S — CID 43587441

IUPAC2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C13H22N2O4S/c1-11-5-4-6-12(14)13(11)20(16,17)15(7-9-18-2)8-10-19-3/h4-6H,7-10,14H2,1-3H3
InChIKeyLQGZJSQABSIALD-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.86
Rot. Bonds8

About 2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide

2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide (PubChem CID 43587441) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide
PubChem CID43587441
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C13H22N2O4S/c1-11-5-4-6-12(14)13(11)20(16,17)15(7-9-18-2)8-10-19-3/h4-6H,7-10,14H2,1-3H3
InChIKeyLQGZJSQABSIALD-UHFFFAOYSA-N
XLogP0.86
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide 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

3-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide
CID 63287518
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699
2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43383281
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 79382041
2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 114230029
2-amino-N,6-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62002027
2-amino-6-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 61112978
N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107329467
2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 62335547
methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
CID 79481278
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
3-amino-4-bromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 115328826

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide (CID 43587441) is 2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide is COCCN(CCOC)S(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide?
The InChIKey is LQGZJSQABSIALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-11-5-4-6-12(14)13(11)20(16,17)15(7-9-18-2)8-10-19-3/h4-6H,7-10,14H2,1-3H3.
What are the key properties of 2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide?
2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 43587441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).