1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine

C15H26N4OS — CID 111027017

IUPAC1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
SMILESCCN(CC)/C(N)=N/CC(c1cccs1)N1CCOCC1
InChIInChI=1S/C15H26N4OS/c1-3-18(4-2)15(16)17-12-13(14-6-5-11-21-14)19-7-9-20-10-8-19/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H2,16,17)
InChIKeyGMLWDEOQJIWCEZ-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.78
Rot. Bonds6

About 1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine

1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine (PubChem CID 111027017) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
PubChem CID111027017
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
SMILESCCN(CC)/C(N)=N/CC(c1cccs1)N1CCOCC1
InChIInChI=1S/C15H26N4OS/c1-3-18(4-2)15(16)17-12-13(14-6-5-11-21-14)19-7-9-20-10-8-19/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H2,16,17)
InChIKeyGMLWDEOQJIWCEZ-UHFFFAOYSA-N
XLogP1.78
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,3,3-tetramethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111027034
N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 111027067
3-ethyl-1,1-dimethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111283658
1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111027009
N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide
CID 111029048
1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine
CID 111284759
5-(diethylamino)-2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135774363
N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111027061
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284536
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111246993
2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111027042
1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029763

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine (CID 111027017) is 1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine is CCN(CC)/C(N)=N/CC(c1cccs1)N1CCOCC1.
What is the InChIKey of 1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The InChIKey is GMLWDEOQJIWCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-3-18(4-2)15(16)17-12-13(14-6-5-11-21-14)19-7-9-20-10-8-19/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H2,16,17).
What are the key properties of 1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine has a molecular weight of 310.47 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111027017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).