1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene

C9H15N3O2S — CID 114804340

IUPAC1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene
SMILESCNS(=O)(=O)N(C)Cc1cccc(N)c1
InChIInChI=1S/C9H15N3O2S/c1-11-15(13,14)12(2)7-8-4-3-5-9(10)6-8/h3-6,11H,7,10H2,1-2H3
InChIKeyIUKMLUTWGXQDNS-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.16
Rot. Bonds4

About 1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene

1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene (PubChem CID 114804340) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene.

Molecular Properties

Compound Name1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene
PubChem CID114804340
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene
SMILESCNS(=O)(=O)N(C)Cc1cccc(N)c1
InChIInChI=1S/C9H15N3O2S/c1-11-15(13,14)12(2)7-8-4-3-5-9(10)6-8/h3-6,11H,7,10H2,1-2H3
InChIKeyIUKMLUTWGXQDNS-UHFFFAOYSA-N
XLogP0.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.16
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

1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene
CID 43602691
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
methyl 3-[(3-aminophenyl)methyl-methylsulfamoyl]propanoate
CID 61458585
methyl 4-[(3-aminophenyl)methyl-methylsulfamoyl]butanoate
CID 61457700
N-[(3-aminophenyl)methyl]-4-chloro-N,1-dimethylpyrazole-5-sulfonamide
CID 106313731
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929716
3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
CID 62325164
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 62064016
1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 43527299
methyl N-[(3-aminophenyl)methyl-ethylsulfamoyl]carbamate
CID 114461560
3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 62325163

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene?
The IUPAC name of 1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene (CID 114804340) is 1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene.
What is the SMILES notation for 1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene?
The canonical SMILES for 1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene is CNS(=O)(=O)N(C)Cc1cccc(N)c1.
What is the InChIKey of 1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene?
The InChIKey is IUKMLUTWGXQDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-11-15(13,14)12(2)7-8-4-3-5-9(10)6-8/h3-6,11H,7,10H2,1-2H3.
What are the key properties of 1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene?
1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene has a molecular weight of 229.31 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene is sourced from PubChem (CID 114804340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).