1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine

C10H16N4S — CID 116511461

IUPAC1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine
SMILESCC/N=C(\NN)Nc1cccc(SC)c1
InChIInChI=1S/C10H16N4S/c1-3-12-10(14-11)13-8-5-4-6-9(7-8)15-2/h4-7H,3,11H2,1-2H3,(H2,12,13,14)
InChIKeySFXPUALAQUBLEV-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.66
Rot. Bonds3

About 1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine

1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine (PubChem CID 116511461) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine
PubChem CID116511461
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine
SMILESCC/N=C(\NN)Nc1cccc(SC)c1
InChIInChI=1S/C10H16N4S/c1-3-12-10(14-11)13-8-5-4-6-9(7-8)15-2/h4-7H,3,11H2,1-2H3,(H2,12,13,14)
InChIKeySFXPUALAQUBLEV-UHFFFAOYSA-N
XLogP1.66
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine
CID 116512166
2,3-dimethyl-1-(3-methylsulfanylanilino)butan-2-ol
CID 114492485
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
2-cyano-N-(3-methylsulfanylphenyl)butanamide
CID 55207141
N-methyl-2-(3-methylsulfanylanilino)acetamide
CID 28568297
1-(3,5-difluorophenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53488867
N-(2-methylidenebutyl)-3-methylsulfanylaniline
CID 66047338
1-(2,6-diethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839944
2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine
CID 62379412
2-methoxyethyl N-(3-methylsulfanylphenyl)carbamate
CID 146357329
1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine
CID 107605052

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine?
The IUPAC name of 1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine (CID 116511461) is 1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine.
What is the SMILES notation for 1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine?
The canonical SMILES for 1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine is CC/N=C(\NN)Nc1cccc(SC)c1.
What is the InChIKey of 1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine?
The InChIKey is SFXPUALAQUBLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-3-12-10(14-11)13-8-5-4-6-9(7-8)15-2/h4-7H,3,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine?
1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine has a molecular weight of 224.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine is sourced from PubChem (CID 116511461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).