4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline

C12H21N3O3S — CID 114804141

IUPAC4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline
SMILESCOc1cc(CN)ccc1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H21N3O3S/c1-12(2,3)15-19(16,17)14-10-6-5-9(8-13)7-11(10)18-4/h5-7,14-15H,8,13H2,1-4H3
InChIKeyDQYMAIGRWWJIII-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.20
Rot. Bonds5

About 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline

4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline (PubChem CID 114804141) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline
PubChem CID114804141
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline
SMILESCOc1cc(CN)ccc1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H21N3O3S/c1-12(2,3)15-19(16,17)14-10-6-5-9(8-13)7-11(10)18-4/h5-7,14-15H,8,13H2,1-4H3
InChIKeyDQYMAIGRWWJIII-UHFFFAOYSA-N
XLogP1.20
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline
CID 114804109
4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline
CID 114804139
4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline
CID 114813992
N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
CID 113460263
1-[4-(aminomethyl)-2-methoxyphenyl]-3-tert-butylurea
CID 113460330
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
CID 104847754
3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide
CID 114812448
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
N-[4-(aminomethyl)-2-methoxyphenyl]-1H-imidazole-5-sulfonamide
CID 104847766
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide
CID 106091059
5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331881

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline?
The IUPAC name of 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline (CID 114804141) is 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline?
The canonical SMILES for 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline is COc1cc(CN)ccc1NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline?
The InChIKey is DQYMAIGRWWJIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-12(2,3)15-19(16,17)14-10-6-5-9(8-13)7-11(10)18-4/h5-7,14-15H,8,13H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline?
4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline has a molecular weight of 287.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline is sourced from PubChem (CID 114804141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).