2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine

C24H34N4O2S — CID 111284297

IUPAC2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine
SMILESC/N=C(/NCC1CCCOC1c1ccccc1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C24H34N4O2S/c1-25-24(26-17-20-9-5-13-30-23(20)19-7-3-2-4-8-19)27-18-21(22-10-6-16-31-22)28-11-14-29-15-12-28/h2-4,6-8,10,16,20-21,23H,5,9,11-15,17-18H2,1H3,(H2,25,26,27)
InChIKeyZUHDMVKKTLHNQE-UHFFFAOYSA-N
MW442.63 g/mol
LogP3.45
Rot. Bonds7

About 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine

2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine (PubChem CID 111284297) has the molecular formula C24H34N4O2S and a molecular weight of 442.63 g/mol. Its IUPAC name is 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine
PubChem CID111284297
Molecular FormulaC24H34N4O2S
Molecular Weight442.63 g/mol
Exact Mass442.24
IUPAC Name2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine
SMILESC/N=C(/NCC1CCCOC1c1ccccc1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C24H34N4O2S/c1-25-24(26-17-20-9-5-13-30-23(20)19-7-3-2-4-8-19)27-18-21(22-10-6-16-31-22)28-11-14-29-15-12-28/h2-4,6-8,10,16,20-21,23H,5,9,11-15,17-18H2,1H3,(H2,25,26,27)
InChIKeyZUHDMVKKTLHNQE-UHFFFAOYSA-N
XLogP3.45
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 53.45
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'}

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Related Compounds

2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine
CID 111930632
1-benzyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 110953884
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111284215
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111284655
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-phenylcyclopropyl)guanidine
CID 111284929
1-cyclobutyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 119146331
1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110991592
1-tert-butyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 110966180
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111795328
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111620702
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111966061
2-methyl-1-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111284361

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine (CID 111284297) is 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine is C/N=C(/NCC1CCCOC1c1ccccc1)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine?
The InChIKey is ZUHDMVKKTLHNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2S/c1-25-24(26-17-20-9-5-13-30-23(20)19-7-3-2-4-8-19)27-18-21(22-10-6-16-31-22)28-11-14-29-15-12-28/h2-4,6-8,10,16,20-21,23H,5,9,11-15,17-18H2,1H3,(H2,25,26,27).
What are the key properties of 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine?
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine has a molecular weight of 442.63 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine is sourced from PubChem (CID 111284297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).