3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine

C12H21N3O2S — CID 114804269

IUPAC3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine
SMILESCc1ccc(N)c(C)c1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H21N3O2S/c1-8-6-7-10(13)9(2)11(8)14-18(16,17)15-12(3,4)5/h6-7,14-15H,13H2,1-5H3
InChIKeyKQYJLGRURSFDHU-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.93
Rot. Bonds3

About 3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine

3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine (PubChem CID 114804269) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine
PubChem CID114804269
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine
SMILESCc1ccc(N)c(C)c1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H21N3O2S/c1-8-6-7-10(13)9(2)11(8)14-18(16,17)15-12(3,4)5/h6-7,14-15H,13H2,1-5H3
InChIKeyKQYJLGRURSFDHU-UHFFFAOYSA-N
XLogP1.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide
CID 63689329
N-(3-amino-2,6-dimethylphenyl)methanesulfonamide
CID 24702132
1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine
CID 114804849
N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide
CID 28941729
N-(3-amino-2,6-dimethylphenyl)-2-cyanobenzenesulfonamide
CID 29271568
N-(3-amino-2,6-dimethylphenyl)morpholine-4-sulfonamide
CID 28783497
2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine
CID 114804191
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167027
N-(6-amino-2,3-dimethylphenyl)-2-methylpropane-2-sulfonamide
CID 55233609
4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine
CID 114804931
ethyl 3-[(3-amino-2,6-dimethylphenyl)sulfamoyl]propanoate
CID 61459319
methanesulfonic acid;2,3,4-trimethylaniline
CID 173451670

Frequently Asked Questions

What is the IUPAC name of 3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine (CID 114804269) is 3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine is Cc1ccc(N)c(C)c1NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine?
The InChIKey is KQYJLGRURSFDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-8-6-7-10(13)9(2)11(8)14-18(16,17)15-12(3,4)5/h6-7,14-15H,13H2,1-5H3.
What are the key properties of 3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine?
3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine has a molecular weight of 271.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 114804269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).