1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine

C14H23N3OS — CID 110940746

IUPAC1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine
SMILESC/N=C(/NCCCSc1ccccc1)NCCOC
InChIInChI=1S/C14H23N3OS/c1-15-14(17-10-11-18-2)16-9-6-12-19-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H2,15,16,17)
InChIKeyRDZWMSWLGSUQCD-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.98
Rot. Bonds8

About 1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine

1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine (PubChem CID 110940746) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine
PubChem CID110940746
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine
SMILESC/N=C(/NCCCSc1ccccc1)NCCOC
InChIInChI=1S/C14H23N3OS/c1-15-14(17-10-11-18-2)16-9-6-12-19-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H2,15,16,17)
InChIKeyRDZWMSWLGSUQCD-UHFFFAOYSA-N
XLogP1.98
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-tert-butyl-2-methyl-3-(3-phenylsulfanylpropyl)guanidine;hydroiodide
CID 110965595
1-[3-(4-fluorophenyl)sulfanylpropyl]-3-(5-methoxypentyl)-2-methylguanidine
CID 111310912
1-(3-ethoxypropyl)-2-methyl-3-(2-phenylsulfanylethyl)guanidine
CID 111223099
1-cyclopentyl-2-methyl-3-(3-phenylsulfanylpropyl)guanidine
CID 110990963
1-[2-(4-fluorophenyl)sulfanylethyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 111567483
1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine
CID 75532528
1-ethyl-2-methyl-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 71931073
2-methyl-1-(2-phenylsulfanylethyl)-3-propylguanidine;hydroiodide
CID 111226575
1-(3,3-diphenylpropyl)-3-(3-methoxypropyl)-2-methylguanidine
CID 110975059
2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111373126
1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942288
1-(2-methoxyethyl)-2-methyl-3-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine;hydroiodide
CID 111825989

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine (CID 110940746) is 1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine is C/N=C(/NCCCSc1ccccc1)NCCOC.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine?
The InChIKey is RDZWMSWLGSUQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-15-14(17-10-11-18-2)16-9-6-12-19-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine?
1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine has a molecular weight of 281.43 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-3-(3-phenylsulfanylpropyl)guanidine is sourced from PubChem (CID 110940746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).