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

C9H14N2O2S — CID 43132046

IUPAC1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene
SMILESCc1ccc(CN(C)S(N)(=O)=O)cc1
InChIInChI=1S/C9H14N2O2S/c1-8-3-5-9(6-4-8)7-11(2)14(10,12)13/h3-6H,7H2,1-2H3,(H2,10,12,13)
InChIKeyLRTPJOQMEBCGPC-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.63
Rot. Bonds3

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

1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene (PubChem CID 43132046) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene
PubChem CID43132046
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene
SMILESCc1ccc(CN(C)S(N)(=O)=O)cc1
InChIInChI=1S/C9H14N2O2S/c1-8-3-5-9(6-4-8)7-11(2)14(10,12)13/h3-6H,7H2,1-2H3,(H2,10,12,13)
InChIKeyLRTPJOQMEBCGPC-UHFFFAOYSA-N
XLogP0.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 114958571
1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 112689195
N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
CID 61456100
1-methyl-1-[(4-methylphenyl)methyl]hydrazine
CID 82280119
N-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzamide
CID 112684258
4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43256596
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 28544654
2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 46567304
1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 38011114
2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 61107779
1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 21041221
amino-[(4-methylphenyl)methyl]carbamic acid
CID 68916072

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene?
The IUPAC name of 1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene (CID 43132046) is 1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene.
What is the SMILES notation for 1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene?
The canonical SMILES for 1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene is Cc1ccc(CN(C)S(N)(=O)=O)cc1.
What is the InChIKey of 1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene?
The InChIKey is LRTPJOQMEBCGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-8-3-5-9(6-4-8)7-11(2)14(10,12)13/h3-6H,7H2,1-2H3,(H2,10,12,13).
What are the key properties of 1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene?
1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene has a molecular weight of 214.29 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene is sourced from PubChem (CID 43132046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).