1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine

C17H28N4OS — CID 111965961

IUPAC1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC(c1cccs1)N1CCOC(C)C1)NCC
InChIInChI=1S/C17H28N4OS/c1-4-8-19-17(18-5-2)20-12-15(16-7-6-11-23-16)21-9-10-22-14(3)13-21/h4,6-7,11,14-15H,1,5,8-10,12-13H2,2-3H3,(H2,18,19,20)
InChIKeyOTUXRNFINJHMQK-UHFFFAOYSA-N
MW336.51 g/mol
LogP2.25
Rot. Bonds7

About 1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine

1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine (PubChem CID 111965961) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine
PubChem CID111965961
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC(c1cccs1)N1CCOC(C)C1)NCC
InChIInChI=1S/C17H28N4OS/c1-4-8-19-17(18-5-2)20-12-15(16-7-6-11-23-16)21-9-10-22-14(3)13-21/h4,6-7,11,14-15H,1,5,8-10,12-13H2,2-3H3,(H2,18,19,20)
InChIKeyOTUXRNFINJHMQK-UHFFFAOYSA-N
XLogP2.25
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 52.25
H-Bond Donors ≤ 52
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine 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-3-(3-methylbutyl)-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111965952
1-ethyl-3-(2-methoxyethyl)-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111965892
1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111965976
2-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110980152
1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111966252
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111997263
1-butan-2-yl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111722041
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 109419508
1,3-diethyl-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 110924782
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283627
2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)guanidine
CID 111722037
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine
CID 110981907

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine?
The IUPAC name of 1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine (CID 111965961) is 1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine is C=CCN/C(=N/CC(c1cccs1)N1CCOC(C)C1)NCC.
What is the InChIKey of 1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine?
The InChIKey is OTUXRNFINJHMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-4-8-19-17(18-5-2)20-12-15(16-7-6-11-23-16)21-9-10-22-14(3)13-21/h4,6-7,11,14-15H,1,5,8-10,12-13H2,2-3H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine?
1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine has a molecular weight of 336.51 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine is sourced from PubChem (CID 111965961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).