2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine

C13H23N3OS2 — CID 75423196

IUPAC2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine
SMILESCSCCCN/C(=N/Cc1ccco1)NCCSC
InChIInChI=1S/C13H23N3OS2/c1-18-9-4-6-14-13(15-7-10-19-2)16-11-12-5-3-8-17-12/h3,5,8H,4,6-7,9-11H2,1-2H3,(H2,14,15,16)
InChIKeyGIKOADZTQVCPSL-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.43
Rot. Bonds9

About 2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine

2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine (PubChem CID 75423196) has the molecular formula C13H23N3OS2 and a molecular weight of 301.48 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine
PubChem CID75423196
Molecular FormulaC13H23N3OS2
Molecular Weight301.48 g/mol
Exact Mass301.13
IUPAC Name2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine
SMILESCSCCCN/C(=N/Cc1ccco1)NCCSC
InChIInChI=1S/C13H23N3OS2/c1-18-9-4-6-14-13(15-7-10-19-2)16-11-12-5-3-8-17-12/h3,5,8H,4,6-7,9-11H2,1-2H3,(H2,14,15,16)
InChIKeyGIKOADZTQVCPSL-UHFFFAOYSA-N
XLogP2.43
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.43
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'}

Analyze 2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[3-(4-fluorophenyl)sulfanylpropyl]-2-(furan-2-ylmethyl)guanidine
CID 110937924
1-amino-3-butyl-2-(furan-2-ylmethyl)guanidine
CID 116511392
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938717
1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 111343623
2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110035849
1-ethyl-2-(furan-2-ylmethyl)-3-[3-(4-hydroxyphenyl)propyl]guanidine
CID 111790018
2-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 110050593
1-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine
CID 111491474
1-ethyl-2-(furan-2-ylmethyl)-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 75532496
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
1-[2-(furan-2-yl)ethyl]-2-(6-methylsulfanylhexyl)-3-prop-2-enylguanidine
CID 136701213
1-[3-(2-chlorophenyl)propyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111544296

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine?
The IUPAC name of 2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine (CID 75423196) is 2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine?
The canonical SMILES for 2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine is CSCCCN/C(=N/Cc1ccco1)NCCSC.
What is the InChIKey of 2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine?
The InChIKey is GIKOADZTQVCPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS2/c1-18-9-4-6-14-13(15-7-10-19-2)16-11-12-5-3-8-17-12/h3,5,8H,4,6-7,9-11H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine?
2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine has a molecular weight of 301.48 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(3-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 75423196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).