1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide

C11H19IN4O2S — CID 75419005

IUPAC1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
SMILESC/N=C(\NC)NCc1ccc(CS(N)(=O)=O)cc1.I
InChIInChI=1S/C11H18N4O2S.HI/c1-13-11(14-2)15-7-9-3-5-10(6-4-9)8-18(12,16)17;/h3-6H,7-8H2,1-2H3,(H2,12,16,17)(H2,13,14,15);1H
InChIKeyNWNDFEBLSAROGH-UHFFFAOYSA-N
MW398.27 g/mol
LogP0.39
Rot. Bonds4

About 1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide

1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide (PubChem CID 75419005) has the molecular formula C11H19IN4O2S and a molecular weight of 398.27 g/mol. Its IUPAC name is 1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
PubChem CID75419005
Molecular FormulaC11H19IN4O2S
Molecular Weight398.27 g/mol
Exact Mass398.03
IUPAC Name1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
SMILESC/N=C(\NC)NCc1ccc(CS(N)(=O)=O)cc1.I
InChIInChI=1S/C11H18N4O2S.HI/c1-13-11(14-2)15-7-9-3-5-10(6-4-9)8-18(12,16)17;/h3-6H,7-8H2,1-2H3,(H2,12,16,17)(H2,13,14,15);1H
InChIKeyNWNDFEBLSAROGH-UHFFFAOYSA-N
XLogP0.39
TPSA96.58 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 ≤ 50.39
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'}

Analyze 1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide (CID 75419005) is 1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide is C/N=C(\NC)NCc1ccc(CS(N)(=O)=O)cc1.I.
What is the InChIKey of 1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is NWNDFEBLSAROGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S.HI/c1-13-11(14-2)15-7-9-3-5-10(6-4-9)8-18(12,16)17;/h3-6H,7-8H2,1-2H3,(H2,12,16,17)(H2,13,14,15);1H.
What are the key properties of 1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide?
1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 398.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[[4-(sulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 75419005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).