1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine

C13H22N4O2S — CID 122082186

IUPAC1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine
SMILESCc1cc(S(N)(=O)=O)ccc1CN=C(N(C)C)N(C)C
InChIInChI=1S/C13H22N4O2S/c1-10-8-12(20(14,18)19)7-6-11(10)9-15-13(16(2)3)17(4)5/h6-8H,9H2,1-5H3,(H2,14,18,19)
InChIKeyRIMUYOMFIITNMW-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.62
Rot. Bonds3

About 1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine

1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine (PubChem CID 122082186) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine
PubChem CID122082186
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine
SMILESCc1cc(S(N)(=O)=O)ccc1CN=C(N(C)C)N(C)C
InChIInChI=1S/C13H22N4O2S/c1-10-8-12(20(14,18)19)7-6-11(10)9-15-13(16(2)3)17(4)5/h6-8H,9H2,1-5H3,(H2,14,18,19)
InChIKeyRIMUYOMFIITNMW-UHFFFAOYSA-N
XLogP0.62
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine 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

N'-[(2-methyl-4-sulfamoylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120581686
4-(methoxymethyl)-3-methylbenzenesulfonamide
CID 83271766
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine
CID 120581685
N-[(2,4-dimethylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 32895401
2-[[N-[(2,4-dimethylphenyl)methyl]-N'-[(4-sulfamoylphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111364903
2-[(2-methyl-4-sulfamoylphenyl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 120581676
2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111075828
3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 83271735
1,1,3,3-tetramethyl-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111046428
3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51292168
2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 122082170

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine (CID 122082186) is 1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine is Cc1cc(S(N)(=O)=O)ccc1CN=C(N(C)C)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine?
The InChIKey is RIMUYOMFIITNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-10-8-12(20(14,18)19)7-6-11(10)9-15-13(16(2)3)17(4)5/h6-8H,9H2,1-5H3,(H2,14,18,19).
What are the key properties of 1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine?
1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine has a molecular weight of 298.41 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine is sourced from PubChem (CID 122082186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).