1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide

C11H21IN4O2S2 — CID 111351289

IUPAC1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCS(N)(=O)=O)NCCc1cccs1.I
InChIInChI=1S/C11H20N4O2S2.HI/c1-2-13-11(15-7-9-19(12,16)17)14-6-5-10-4-3-8-18-10;/h3-4,8H,2,5-7,9H2,1H3,(H2,12,16,17)(H2,13,14,15);1H
InChIKeyQNKMYCOBXSPGOW-UHFFFAOYSA-N
MW432.35 g/mol
LogP0.75
Rot. Bonds7

About 1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide

1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide (PubChem CID 111351289) has the molecular formula C11H21IN4O2S2 and a molecular weight of 432.35 g/mol. Its IUPAC name is 1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
PubChem CID111351289
Molecular FormulaC11H21IN4O2S2
Molecular Weight432.35 g/mol
Exact Mass432.02
IUPAC Name1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCS(N)(=O)=O)NCCc1cccs1.I
InChIInChI=1S/C11H20N4O2S2.HI/c1-2-13-11(15-7-9-19(12,16)17)14-6-5-10-4-3-8-18-10;/h3-4,8H,2,5-7,9H2,1H3,(H2,12,16,17)(H2,13,14,15);1H
InChIKeyQNKMYCOBXSPGOW-UHFFFAOYSA-N
XLogP0.75
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)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

Related Compounds

1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350617
1-ethyl-3-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111348765
2-[2-(benzylsulfamoyl)ethyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349314
2-[3-(benzenesulfonyl)propyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111349410
1-ethyl-2-[(4-sulfamoylphenyl)methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111349918
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349083
1-ethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111830987
N-[2-[[N-ethyl-N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111349875
1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349511
1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111796451
1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine
CID 111351434
1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111581471

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide (CID 111351289) is 1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide is CCN/C(=N\CCS(N)(=O)=O)NCCc1cccs1.I.
What is the InChIKey of 1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The InChIKey is QNKMYCOBXSPGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2.HI/c1-2-13-11(15-7-9-19(12,16)17)14-6-5-10-4-3-8-18-10;/h3-4,8H,2,5-7,9H2,1H3,(H2,12,16,17)(H2,13,14,15);1H.
What are the key properties of 1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide has a molecular weight of 432.35 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111351289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).