4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline

C12H21N3O3S — CID 114813992

IUPAC4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline
SMILESCOc1cc(CN)ccc1NS(=O)(=O)NCC(C)C
InChIInChI=1S/C12H21N3O3S/c1-9(2)8-14-19(16,17)15-11-5-4-10(7-13)6-12(11)18-3/h4-6,9,14-15H,7-8,13H2,1-3H3
InChIKeyJMIMILQRDSGUPB-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.06
Rot. Bonds7

About 4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline

4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline (PubChem CID 114813992) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline
PubChem CID114813992
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline
SMILESCOc1cc(CN)ccc1NS(=O)(=O)NCC(C)C
InChIInChI=1S/C12H21N3O3S/c1-9(2)8-14-19(16,17)15-11-5-4-10(7-13)6-12(11)18-3/h4-6,9,14-15H,7-8,13H2,1-3H3
InChIKeyJMIMILQRDSGUPB-UHFFFAOYSA-N
XLogP1.06
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline 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

4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline
CID 114804139
4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline
CID 114804141
N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
CID 113460263
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
CID 104847754
2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline
CID 114813800
N'-[(2,4-dimethoxyphenyl)sulfamoyl]ethane-1,2-diamine
CID 84760955
1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol
CID 114815631
N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide
CID 104847766
2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline
CID 114813987
3-amino-4-(2-methylpropylsulfamoylamino)phenol
CID 107697833
4-(aminomethyl)-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055671

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline?
The IUPAC name of 4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline (CID 114813992) is 4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline?
The canonical SMILES for 4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline is COc1cc(CN)ccc1NS(=O)(=O)NCC(C)C.
What is the InChIKey of 4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline?
The InChIKey is JMIMILQRDSGUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-9(2)8-14-19(16,17)15-11-5-4-10(7-13)6-12(11)18-3/h4-6,9,14-15H,7-8,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline?
4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline has a molecular weight of 287.39 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline is sourced from PubChem (CID 114813992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).