2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

C12H21N3O2S — CID 54947886

IUPAC2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCc1ccc(NS(=O)(=O)N(C)C(C)C)c(C)c1N
InChIInChI=1S/C12H21N3O2S/c1-8(2)15(5)18(16,17)14-11-7-6-9(3)12(13)10(11)4/h6-8,14H,13H2,1-5H3
InChIKeyPSRNOVQMXBGBJW-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.88
Rot. Bonds4

About 2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene

2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (PubChem CID 54947886) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.

Molecular Properties

Compound Name2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
PubChem CID54947886
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
SMILESCc1ccc(NS(=O)(=O)N(C)C(C)C)c(C)c1N
InChIInChI=1S/C12H21N3O2S/c1-8(2)15(5)18(16,17)14-11-7-6-9(3)12(13)10(11)4/h6-8,14H,13H2,1-5H3
InChIKeyPSRNOVQMXBGBJW-UHFFFAOYSA-N
XLogP1.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.88
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

3-amino-N,2,4-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 114240213
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide
CID 60972705
4-(3-aminoprop-1-ynyl)-1-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61454068
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60972945
1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947668
N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide
CID 64988981
N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide
CID 60971852
N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide
CID 54880821
4-chloro-2-hydroxy-1-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 81433365
N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide
CID 54880810
1-[1-(methylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455735
3-amino-N,2,6-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 43257149

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The IUPAC name of 2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene (CID 54947886) is 2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene.
What is the SMILES notation for 2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The canonical SMILES for 2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is Cc1ccc(NS(=O)(=O)N(C)C(C)C)c(C)c1N.
What is the InChIKey of 2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
The InChIKey is PSRNOVQMXBGBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-8(2)15(5)18(16,17)14-11-7-6-9(3)12(13)10(11)4/h6-8,14H,13H2,1-5H3.
What are the key properties of 2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene?
2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene has a molecular weight of 271.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-dimethyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene is sourced from PubChem (CID 54947886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).