2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide

C11H20IN5O3S — CID 111824513

IUPAC2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCNS(=O)(=O)Cc1ccon1.I
InChIInChI=1S/C11H19N5O3S.HI/c1-9(2)7-14-11(12)13-4-5-15-20(17,18)8-10-3-6-19-16-10;/h3,6,15H,1,4-5,7-8H2,2H3,(H3,12,13,14);1H
InChIKeyBSCOHGAJNSOWGE-UHFFFAOYSA-N
MW429.28 g/mol
LogP0.19
Rot. Bonds8

About 2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide

2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide (PubChem CID 111824513) has the molecular formula C11H20IN5O3S and a molecular weight of 429.28 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide
PubChem CID111824513
Molecular FormulaC11H20IN5O3S
Molecular Weight429.28 g/mol
Exact Mass429.03
IUPAC Name2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCNS(=O)(=O)Cc1ccon1.I
InChIInChI=1S/C11H19N5O3S.HI/c1-9(2)7-14-11(12)13-4-5-15-20(17,18)8-10-3-6-19-16-10;/h3,6,15H,1,4-5,7-8H2,2H3,(H3,12,13,14);1H
InChIKeyBSCOHGAJNSOWGE-UHFFFAOYSA-N
XLogP0.19
TPSA122.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.28
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]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

1,3-diethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide
CID 111824505
1,1,3,3-tetramethyl-2-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine
CID 111824522
N-[2-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042845
1-[2-(benzylsulfamoyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111062435
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111091248
2-(2-methylprop-2-enyl)-1-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111024321
1-[2-(2-fluorophenyl)sulfonylethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111578354
1-[2-(4-fluorophenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111025566
2-(2-methylprop-2-enyl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111027401
1-[2-(4-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111601681
1-[2-(2,6-difluorophenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111060744
2-(2-methylprop-2-enyl)-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111028471

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide (CID 111824513) is 2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide is C=C(C)C/N=C(\N)NCCNS(=O)(=O)Cc1ccon1.I.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide?
The InChIKey is BSCOHGAJNSOWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S.HI/c1-9(2)7-14-11(12)13-4-5-15-20(17,18)8-10-3-6-19-16-10;/h3,6,15H,1,4-5,7-8H2,2H3,(H3,12,13,14);1H.
What are the key properties of 2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide?
2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide has a molecular weight of 429.28 g/mol, XLogP of 0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-[2-(1,2-oxazol-3-ylmethylsulfonylamino)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111824513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).