1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine

C21H36N4O2S — CID 111581718

IUPAC1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CC(C)(C)c1cccs1)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C21H36N4O2S/c1-4-22-20(24-16-21(2,3)19-6-5-13-28-19)23-14-18(17-7-10-27-15-17)25-8-11-26-12-9-25/h5-6,13,17-18H,4,7-12,14-16H2,1-3H3,(H2,22,23,24)
InChIKeyXSPARJFHNXRBAE-UHFFFAOYSA-N
MW408.61 g/mol
LogP2.32
Rot. Bonds8

About 1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine

1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine (PubChem CID 111581718) has the molecular formula C21H36N4O2S and a molecular weight of 408.61 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
PubChem CID111581718
Molecular FormulaC21H36N4O2S
Molecular Weight408.61 g/mol
Exact Mass408.26
IUPAC Name1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CC(C)(C)c1cccs1)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C21H36N4O2S/c1-4-22-20(24-16-21(2,3)19-6-5-13-28-19)23-14-18(17-7-10-27-15-17)25-8-11-26-12-9-25/h5-6,13,17-18H,4,7-12,14-16H2,1-3H3,(H2,22,23,24)
InChIKeyXSPARJFHNXRBAE-UHFFFAOYSA-N
XLogP2.32
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)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-(4-ethylphenyl)-2-methylpropyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine;hydroiodide
CID 109465223
1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703504
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 109418923
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284840
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111606959
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111606958
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 109419508
1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
CID 109475253
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111284199
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 109417477
1-ethyl-3-(2-hydroxyethyl)-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 111985237
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111658033

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine (CID 111581718) is 1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine is CCN/C(=N\CC(C)(C)c1cccs1)NCC(C1CCOC1)N1CCOCC1.
What is the InChIKey of 1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine?
The InChIKey is XSPARJFHNXRBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2S/c1-4-22-20(24-16-21(2,3)19-6-5-13-28-19)23-14-18(17-7-10-27-15-17)25-8-11-26-12-9-25/h5-6,13,17-18H,4,7-12,14-16H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine?
1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine has a molecular weight of 408.61 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine is sourced from PubChem (CID 111581718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).