1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide

C11H19IN4O2S — CID 111046592

IUPAC1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/CCS(N)(=O)=O)cc1C.I
InChIInChI=1S/C11H18N4O2S.HI/c1-8-3-4-10(7-9(8)2)15-11(12)14-5-6-18(13,16)17;/h3-4,7H,5-6H2,1-2H3,(H3,12,14,15)(H2,13,16,17);1H
InChIKeyLPFQYFVZKZYFQF-UHFFFAOYSA-N
MW398.27 g/mol
LogP0.94
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide

1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide (PubChem CID 111046592) has the molecular formula C11H19IN4O2S and a molecular weight of 398.27 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
PubChem CID111046592
Molecular FormulaC11H19IN4O2S
Molecular Weight398.27 g/mol
Exact Mass398.03
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/CCS(N)(=O)=O)cc1C.I
InChIInChI=1S/C11H18N4O2S.HI/c1-8-3-4-10(7-9(8)2)15-11(12)14-5-6-18(13,16)17;/h3-4,7H,5-6H2,1-2H3,(H3,12,14,15)(H2,13,16,17);1H
InChIKeyLPFQYFVZKZYFQF-UHFFFAOYSA-N
XLogP0.94
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.27
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-bromophenyl)sulfonylethyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111807871
1-(4-methylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046601
2-(2-cyclopropylsulfonylethyl)-1-(3,4-dimethylphenyl)guanidine
CID 122099318
2-[2-(benzylsulfamoyl)ethyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111062380
1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 110912467
1-phenyl-2-(2-sulfamoylethyl)guanidine
CID 62364508
2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111814605
1-(3,4-dimethylphenyl)-2-[3-[ethyl(methylsulfonyl)amino]propyl]guanidine
CID 111076217
ethyl 4-[[amino-(3,4-dimethylanilino)methylidene]amino]butanoate;hydroiodide
CID 111025604
1-(3,4-dimethylphenyl)-2-[(4-methylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111045047
N-[2-[[amino-(3,4-dimethylanilino)methylidene]amino]ethyl]-4-bromobenzamide;hydroiodide
CID 111075534
N-[4-[2-[[amino-(3,4-dimethylanilino)methylidene]amino]ethyl]phenyl]acetamide
CID 111086215

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide (CID 111046592) is 1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide is Cc1ccc(N/C(N)=N/CCS(N)(=O)=O)cc1C.I.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide?
The InChIKey is LPFQYFVZKZYFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S.HI/c1-8-3-4-10(7-9(8)2)15-11(12)14-5-6-18(13,16)17;/h3-4,7H,5-6H2,1-2H3,(H3,12,14,15)(H2,13,16,17);1H.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide?
1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide has a molecular weight of 398.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111046592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).