1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine

C18H32N4O4S2 — CID 109420312

IUPAC1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1cccs1)NCCS(=O)(=O)NCC1CCCCO1
InChIInChI=1S/C18H32N4O4S2/c1-3-19-17(21-14-18(2,23)16-8-6-11-27-16)20-9-12-28(24,25)22-13-15-7-4-5-10-26-15/h6,8,11,15,22-23H,3-5,7,9-10,12-14H2,1-2H3,(H2,19,20,21)
InChIKeyGHDGQHRNTITJEV-UHFFFAOYSA-N
MW432.61 g/mol
LogP1.00
Rot. Bonds10

About 1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine

1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine (PubChem CID 109420312) has the molecular formula C18H32N4O4S2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
PubChem CID109420312
Molecular FormulaC18H32N4O4S2
Molecular Weight432.61 g/mol
Exact Mass432.19
IUPAC Name1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1cccs1)NCCS(=O)(=O)NCC1CCCCO1
InChIInChI=1S/C18H32N4O4S2/c1-3-19-17(21-14-18(2,23)16-8-6-11-27-16)20-9-12-28(24,25)22-13-15-7-4-5-10-26-15/h6,8,11,15,22-23H,3-5,7,9-10,12-14H2,1-2H3,(H2,19,20,21)
InChIKeyGHDGQHRNTITJEV-UHFFFAOYSA-N
XLogP1.00
TPSA112.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]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

1-ethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111830987
1-ethyl-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111827652
1-[(2-tert-butyloxan-3-yl)methyl]-3-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 109418671
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(3-methylsulfonylpropyl)guanidine
CID 109419618
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine
CID 109420088
1,3-diethyl-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111117769
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 109418666
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine
CID 109419156
1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 111830786
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 109419155
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 109470738
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111831077

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine (CID 109420312) is 1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine is CCN/C(=N\CC(C)(O)c1cccs1)NCCS(=O)(=O)NCC1CCCCO1.
What is the InChIKey of 1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine?
The InChIKey is GHDGQHRNTITJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O4S2/c1-3-19-17(21-14-18(2,23)16-8-6-11-27-16)20-9-12-28(24,25)22-13-15-7-4-5-10-26-15/h6,8,11,15,22-23H,3-5,7,9-10,12-14H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine?
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine has a molecular weight of 432.61 g/mol, XLogP of 1.00, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine is sourced from PubChem (CID 109420312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).