1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine

C14H30N4OS — CID 111611486

IUPAC1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\CC(C)(C)SC)NCCN1CCOCC1
InChIInChI=1S/C14H30N4OS/c1-5-15-13(17-12-14(2,3)20-4)16-6-7-18-8-10-19-11-9-18/h5-12H2,1-4H3,(H2,15,16,17)
InChIKeyGSQSZYLITVBNHC-UHFFFAOYSA-N
MW302.49 g/mol
LogP1.02
Rot. Bonds7

About 1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine

1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 111611486) has the molecular formula C14H30N4OS and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID111611486
Molecular FormulaC14H30N4OS
Molecular Weight302.49 g/mol
Exact Mass302.21
IUPAC Name1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\CC(C)(C)SC)NCCN1CCOCC1
InChIInChI=1S/C14H30N4OS/c1-5-15-13(17-12-14(2,3)20-4)16-6-7-18-8-10-19-11-9-18/h5-12H2,1-4H3,(H2,15,16,17)
InChIKeyGSQSZYLITVBNHC-UHFFFAOYSA-N
XLogP1.02
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 51.02
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'}

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Related Compounds

1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658320
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111610914
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111609756
2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111619318
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111314856
2-[2-(4-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188054
1-ethyl-2-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187538
tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate
CID 111781936
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111187528
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111609892
1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111709662
1-ethyl-2-[4-(4-methylpiperazin-1-yl)butyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111187649

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine (CID 111611486) is 1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine is CCN/C(=N\CC(C)(C)SC)NCCN1CCOCC1.
What is the InChIKey of 1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is GSQSZYLITVBNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4OS/c1-5-15-13(17-12-14(2,3)20-4)16-6-7-18-8-10-19-11-9-18/h5-12H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine?
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 302.49 g/mol, XLogP of 1.02, 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-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 111611486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).