4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide

C10H16N2O2S — CID 106996606

IUPAC4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H16N2O2S/c1-8-6-9(7-11)4-5-10(8)15(13,14)12(2)3/h4-6H,7,11H2,1-3H3
InChIKeyLLLODBJEFJNJPZ-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.70
Rot. Bonds3

About 4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide

4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide (PubChem CID 106996606) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide
PubChem CID106996606
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H16N2O2S/c1-8-6-9(7-11)4-5-10(8)15(13,14)12(2)3/h4-6H,7,11H2,1-3H3
InChIKeyLLLODBJEFJNJPZ-UHFFFAOYSA-N
XLogP0.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide 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

4-(aminomethyl)-N,N-dibutyl-2-methylbenzenesulfonamide
CID 106996655
4-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107198936
4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 106996774
4-(aminomethyl)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 106997085
4-(aminomethyl)-N-(cyclopropylmethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 106996837
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107398229
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 106996912
4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106996772
4-cyano-N,N,2-trimethylbenzenesulfonamide
CID 103688766
4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106996543
4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 106997142
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide
CID 106996555

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide (CID 106996606) is 4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide?
The InChIKey is LLLODBJEFJNJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8-6-9(7-11)4-5-10(8)15(13,14)12(2)3/h4-6H,7,11H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide?
4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide is sourced from PubChem (CID 106996606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).