1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine

C16H32N4OS — CID 111315202

IUPAC1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine
SMILESC=CCSCCN/C(=N/CC(C)(C)N1CCOCC1)NCC
InChIInChI=1S/C16H32N4OS/c1-5-12-22-13-7-18-15(17-6-2)19-14-16(3,4)20-8-10-21-11-9-20/h5H,1,6-14H2,2-4H3,(H2,17,18,19)
InChIKeyPEHZPLMANQWWEF-UHFFFAOYSA-N
MW328.53 g/mol
LogP1.57
Rot. Bonds9

About 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine

1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine (PubChem CID 111315202) has the molecular formula C16H32N4OS and a molecular weight of 328.53 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine
PubChem CID111315202
Molecular FormulaC16H32N4OS
Molecular Weight328.53 g/mol
Exact Mass328.23
IUPAC Name1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine
SMILESC=CCSCCN/C(=N/CC(C)(C)N1CCOCC1)NCC
InChIInChI=1S/C16H32N4OS/c1-5-12-22-13-7-18-15(17-6-2)19-14-16(3,4)20-8-10-21-11-9-20/h5H,1,6-14H2,2-4H3,(H2,17,18,19)
InChIKeyPEHZPLMANQWWEF-UHFFFAOYSA-N
XLogP1.57
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111314856
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
CID 111935886
1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111692462
1-(2-butoxyethyl)-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315969
1-[7-(dimethylamino)heptyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315759
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(5-piperidin-1-ylpentyl)guanidine
CID 111784230
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)guanidine
CID 111672960
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111314269
1-ethyl-3-(2-prop-2-enylsulfanylethyl)-2-propylguanidine;hydroiodide
CID 111227718
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314970
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111315660
1-cyclobutyl-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 119146336

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine (CID 111315202) is 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine is C=CCSCCN/C(=N/CC(C)(C)N1CCOCC1)NCC.
What is the InChIKey of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine?
The InChIKey is PEHZPLMANQWWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4OS/c1-5-12-22-13-7-18-15(17-6-2)19-14-16(3,4)20-8-10-21-11-9-20/h5H,1,6-14H2,2-4H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine?
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine has a molecular weight of 328.53 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine is sourced from PubChem (CID 111315202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).