1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene

C8H13N3O2S — CID 114958620

IUPAC1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene
SMILESCN(c1cccc(CN)c1)S(N)(=O)=O
InChIInChI=1S/C8H13N3O2S/c1-11(14(10,12)13)8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3,(H2,10,12,13)
InChIKeyGFYIBIUTZSXDBH-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.22
Rot. Bonds3

About 1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene

1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene (PubChem CID 114958620) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene.

Molecular Properties

Compound Name1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene
PubChem CID114958620
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene
SMILESCN(c1cccc(CN)c1)S(N)(=O)=O
InChIInChI=1S/C8H13N3O2S/c1-11(14(10,12)13)8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3,(H2,10,12,13)
InChIKeyGFYIBIUTZSXDBH-UHFFFAOYSA-N
XLogP-0.22
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-N-methylcyclohexanesulfonamide
CID 62970442
1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
CID 60979524
N-[3-(aminomethyl)phenyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 62969390
1-methoxy-3-[methyl(sulfamoyl)amino]benzene
CID 112573732
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
3-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62972038
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 102813812
N,N-dimethylaniline;phenylmethanamine
CID 159620878
N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide
CID 79155347
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 62970436

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene?
The IUPAC name of 1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene (CID 114958620) is 1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene.
What is the SMILES notation for 1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene?
The canonical SMILES for 1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene is CN(c1cccc(CN)c1)S(N)(=O)=O.
What is the InChIKey of 1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene?
The InChIKey is GFYIBIUTZSXDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-11(14(10,12)13)8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3,(H2,10,12,13).
What are the key properties of 1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene?
1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene has a molecular weight of 215.28 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene is sourced from PubChem (CID 114958620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).