1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene

C9H15N3O2S — CID 114958571

IUPAC1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene
SMILESCN(Cc1ccc(CN)cc1)S(N)(=O)=O
InChIInChI=1S/C9H15N3O2S/c1-12(15(11,13)14)7-9-4-2-8(6-10)3-5-9/h2-5H,6-7,10H2,1H3,(H2,11,13,14)
InChIKeyFHGJFFHJIZLMBQ-UHFFFAOYSA-N
MW229.31 g/mol
LogP-0.22
Rot. Bonds4

About 1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene

1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene (PubChem CID 114958571) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene.

Molecular Properties

Compound Name1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene
PubChem CID114958571
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene
SMILESCN(Cc1ccc(CN)cc1)S(N)(=O)=O
InChIInChI=1S/C9H15N3O2S/c1-12(15(11,13)14)7-9-4-2-8(6-10)3-5-9/h2-5H,6-7,10H2,1H3,(H2,11,13,14)
InChIKeyFHGJFFHJIZLMBQ-UHFFFAOYSA-N
XLogP-0.22
TPSA89.42 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 ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 43132046
1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 112689195
1-(aminomethyl)-4-[[tert-butylsulfamoyl(methyl)amino]methyl]benzene
CID 114803642
N-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzamide
CID 112684258
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
4-[[4-(aminomethyl)phenyl]methyl-methylamino]benzenesulfonamide
CID 60921703
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 54939511
N-[[4-(aminomethyl)phenyl]methyl]-N,4-dimethylpiperidine-1-sulfonamide
CID 60921183
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine
CID 80698741
N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
CID 43270951
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 55225592
N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062589

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene?
The IUPAC name of 1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene (CID 114958571) is 1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene.
What is the SMILES notation for 1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene?
The canonical SMILES for 1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene is CN(Cc1ccc(CN)cc1)S(N)(=O)=O.
What is the InChIKey of 1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene?
The InChIKey is FHGJFFHJIZLMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-12(15(11,13)14)7-9-4-2-8(6-10)3-5-9/h2-5H,6-7,10H2,1H3,(H2,11,13,14).
What are the key properties of 1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene?
1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene has a molecular weight of 229.31 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene is sourced from PubChem (CID 114958571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).