4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide

C12H20N2O3S — CID 112754384

IUPAC4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide
SMILESCOC(C)CN(C)S(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C12H20N2O3S/c1-9-7-11(5-6-12(9)13)18(15,16)14(3)8-10(2)17-4/h5-7,10H,8,13H2,1-4H3
InChIKeyYPQVFMDHWGESAB-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.23
Rot. Bonds5

About 4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide

4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide (PubChem CID 112754384) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide
PubChem CID112754384
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide
SMILESCOC(C)CN(C)S(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C12H20N2O3S/c1-9-7-11(5-6-12(9)13)18(15,16)14(3)8-10(2)17-4/h5-7,10H,8,13H2,1-4H3
InChIKeyYPQVFMDHWGESAB-UHFFFAOYSA-N
XLogP1.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2-methoxypropyl)-N,3-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

3-amino-N,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295498
3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 115329228
methyl 3-[(3-amino-4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61141111
3-amino-4-methoxy-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295497
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 114947166
3-[(3,4-dimethylphenyl)sulfonyl-methylamino]-2-methylpropanethioamide
CID 54991874
2-methyl-4-(2-methylpropylsulfonyl)aniline
CID 81182256
3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55061064
3-amino-4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587375
methyl 2-[(3-amino-4-ethylphenyl)sulfonyl-methylamino]acetate
CID 43258543
5-amino-2-methoxy-N,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 79974880
5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
CID 62333140

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide (CID 112754384) is 4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide is COC(C)CN(C)S(=O)(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide?
The InChIKey is YPQVFMDHWGESAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9-7-11(5-6-12(9)13)18(15,16)14(3)8-10(2)17-4/h5-7,10H,8,13H2,1-4H3.
What are the key properties of 4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide?
4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxypropyl)-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 112754384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).