N-(3-amino-2,6-dimethylphenyl)methanesulfonamide

C9H14N2O2S — CID 24702132

IUPACN-(3-amino-2,6-dimethylphenyl)methanesulfonamide
SMILESCc1ccc(N)c(C)c1NS(C)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-6-4-5-8(10)7(2)9(6)11-14(3,12)13/h4-5,11H,10H2,1-3H3
InChIKeyLUEUYYJWQHFVOY-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.26
Rot. Bonds2

About N-(3-amino-2,6-dimethylphenyl)methanesulfonamide

N-(3-amino-2,6-dimethylphenyl)methanesulfonamide (PubChem CID 24702132) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)methanesulfonamide
PubChem CID24702132
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(3-amino-2,6-dimethylphenyl)methanesulfonamide
SMILESCc1ccc(N)c(C)c1NS(C)(=O)=O
InChIInChI=1S/C9H14N2O2S/c1-6-4-5-8(10)7(2)9(6)11-14(3,12)13/h4-5,11H,10H2,1-3H3
InChIKeyLUEUYYJWQHFVOY-UHFFFAOYSA-N
XLogP1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.26
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-(3-amino-2,6-dimethylphenyl)-2-methylpropane-2-sulfonamide
CID 63689329
3-N-(tert-butylsulfamoyl)-2,4-dimethylbenzene-1,3-diamine
CID 114804269
N-(3-amino-2,6-dimethylphenyl)morpholine-4-sulfonamide
CID 28783497
methanesulfonic acid;2,3,4-trimethylaniline
CID 173451670
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167027
N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide
CID 28941729
N-(3-amino-2,6-dimethylphenyl)-2-cyanobenzenesulfonamide
CID 29271568
ethyl 3-[(3-amino-2,6-dimethylphenyl)sulfamoyl]propanoate
CID 61459319
(3-amino-2,6-dimethylphenyl)urea
CID 19820899
1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene
CID 114958678
N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864548
N-(2-methylnaphthalen-1-yl)methanesulfonamide
CID 1482866

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)methanesulfonamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)methanesulfonamide (CID 24702132) is N-(3-amino-2,6-dimethylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)methanesulfonamide is Cc1ccc(N)c(C)c1NS(C)(=O)=O.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)methanesulfonamide?
The InChIKey is LUEUYYJWQHFVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6-4-5-8(10)7(2)9(6)11-14(3,12)13/h4-5,11H,10H2,1-3H3.
What are the key properties of N-(3-amino-2,6-dimethylphenyl)methanesulfonamide?
N-(3-amino-2,6-dimethylphenyl)methanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 1.26, 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)methanesulfonamide is sourced from PubChem (CID 24702132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).