1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene

C11H19N3O2S — CID 114814154

IUPAC1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene
SMILESCC(C)CNS(=O)(=O)N(C)c1ccccc1N
InChIInChI=1S/C11H19N3O2S/c1-9(2)8-13-17(15,16)14(3)11-7-5-4-6-10(11)12/h4-7,9,13H,8,12H2,1-3H3
InChIKeyAOAKVWORTAXECO-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.20
Rot. Bonds5

About 1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene

1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene (PubChem CID 114814154) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene.

Molecular Properties

Compound Name1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene
PubChem CID114814154
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene
SMILESCC(C)CNS(=O)(=O)N(C)c1ccccc1N
InChIInChI=1S/C11H19N3O2S/c1-9(2)8-13-17(15,16)14(3)11-7-5-4-6-10(11)12/h4-7,9,13H,8,12H2,1-3H3
InChIKeyAOAKVWORTAXECO-UHFFFAOYSA-N
XLogP1.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.20
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

2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene
CID 114813824
N-(2-aminophenyl)-N-methyl-2-propan-2-yloxyethanesulfonamide
CID 79593755
1-amino-2-[propan-2-ylsulfamoyl(propyl)amino]benzene
CID 114804803
[1-amino-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 61453712
3-(2-amino-N-[methyl(propan-2-yl)sulfamoyl]anilino)propanoic acid
CID 63118493
1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114813844
3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
CID 106914261
2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 63118704
1-amino-4-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114814046
2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
CID 155970662
2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene?
The IUPAC name of 1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene (CID 114814154) is 1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene.
What is the SMILES notation for 1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene?
The canonical SMILES for 1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene is CC(C)CNS(=O)(=O)N(C)c1ccccc1N.
What is the InChIKey of 1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene?
The InChIKey is AOAKVWORTAXECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9(2)8-13-17(15,16)14(3)11-7-5-4-6-10(11)12/h4-7,9,13H,8,12H2,1-3H3.
What are the key properties of 1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene?
1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene has a molecular weight of 257.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene is sourced from PubChem (CID 114814154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).