N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide

C12H20N2O2S — CID 63689329

IUPACN-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide
SMILESCc1ccc(N)c(C)c1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-8-6-7-10(13)9(2)11(8)14-17(15,16)12(3,4)5/h6-7,14H,13H2,1-5H3
InChIKeyVLOJPYLGFAQKOX-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.43
Rot. Bonds2

About N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide

N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide (PubChem CID 63689329) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide
PubChem CID63689329
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide
SMILESCc1ccc(N)c(C)c1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-8-6-7-10(13)9(2)11(8)14-17(15,16)12(3,4)5/h6-7,14H,13H2,1-5H3
InChIKeyVLOJPYLGFAQKOX-UHFFFAOYSA-N
XLogP2.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-2,3-dimethylphenyl)-2-methylpropane-2-sulfonamide
CID 55233609
N-(3-amino-2,6-dimethylphenyl)methanesulfonamide
CID 24702132
3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine
CID 114804269
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
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167027
ethyl 3-[(3-amino-2,6-dimethylphenyl)sulfamoyl]propanoate
CID 61459319
methanesulfonic acid;2,3,4-trimethylaniline
CID 173451670
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
N-(4-bromo-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide
CID 65498763
(3-amino-2,6-dimethylphenyl)urea
CID 19820899

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide (CID 63689329) is N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide is Cc1ccc(N)c(C)c1NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide?
The InChIKey is VLOJPYLGFAQKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8-6-7-10(13)9(2)11(8)14-17(15,16)12(3,4)5/h6-7,14H,13H2,1-5H3.
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide?
N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63689329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).