1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine

C12H21N3O2S — CID 114804849

IUPAC1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine
SMILESCc1cc(N)cc(C)c1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H21N3O2S/c1-8-6-10(13)7-9(2)11(8)14-18(16,17)15-12(3,4)5/h6-7,14-15H,13H2,1-5H3
InChIKeyLVGZEMFVGUZBHK-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.93
Rot. Bonds3

About 1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine

1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine (PubChem CID 114804849) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine
PubChem CID114804849
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine
SMILESCc1cc(N)cc(C)c1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H21N3O2S/c1-8-6-10(13)7-9(2)11(8)14-18(16,17)15-12(3,4)5/h6-7,14-15H,13H2,1-5H3
InChIKeyLVGZEMFVGUZBHK-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

3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine
CID 114804269
4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide
CID 79589176
2,6-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,4-diamine
CID 114804848
2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine
CID 114804191
3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 43256286
4-N-(tert-butylsulfamoyl)-2-chlorobenzene-1,4-diamine
CID 114804931
4-bromo-N-(tert-butylsulfamoyl)-5-fluoro-2-methylaniline
CID 114808990
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
potassium 5-amino-2-chloro-3-methylbenzenesulfonate
CID 101303823
3-amino-4-(tert-butylsulfamoylamino)benzoic acid
CID 114804764
5-(3-aminoprop-1-ynyl)-N-(tert-butylsulfamoyl)-2-methylaniline
CID 114812083
5-N-(tert-butylsulfamoyl)-1-methylpyrazole-4,5-diamine
CID 114804868

Frequently Asked Questions

What is the IUPAC name of 1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine (CID 114804849) is 1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine is Cc1cc(N)cc(C)c1NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine?
The InChIKey is LVGZEMFVGUZBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-8-6-10(13)7-9(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 1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine?
1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-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 1-N-(tert-butylsulfamoyl)-2,6-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 114804849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).