1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine

C11H19N5O3S — CID 116511985

IUPAC1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine
SMILESCOCCN/C(=N\Cc1ccc(S(N)(=O)=O)cc1)NN
InChIInChI=1S/C11H19N5O3S/c1-19-7-6-14-11(16-12)15-8-9-2-4-10(5-3-9)20(13,17)18/h2-5H,6-8,12H2,1H3,(H2,13,17,18)(H2,14,15,16)
InChIKeyOFJOKASLMOUEAT-UHFFFAOYSA-N
MW301.37 g/mol
LogP-1.11
Rot. Bonds6

About 1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine

1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine (PubChem CID 116511985) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine
PubChem CID116511985
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine
SMILESCOCCN/C(=N\Cc1ccc(S(N)(=O)=O)cc1)NN
InChIInChI=1S/C11H19N5O3S/c1-19-7-6-14-11(16-12)15-8-9-2-4-10(5-3-9)20(13,17)18/h2-5H,6-8,12H2,1H3,(H2,13,17,18)(H2,14,15,16)
InChIKeyOFJOKASLMOUEAT-UHFFFAOYSA-N
XLogP-1.11
TPSA131.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

2-[[N-(2-methoxyethyl)-N'-[(4-sulfamoylphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110941873
1-amino-2-benzyl-3-(2-methoxyethyl)guanidine
CID 116511560
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111405304
1-amino-2-[(3-chloro-4-fluorophenyl)methyl]-3-(2-methoxyethyl)guanidine
CID 116511070
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 111276481
1-amino-2-[(3-chlorophenyl)methyl]-3-(2-methoxyethyl)guanidine
CID 116511044
1,3-bis(2-methoxyethyl)-2-[(4-nitrophenyl)methyl]guanidine
CID 111491810
1-amino-3-cyclopropyl-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 116511984
1-amino-2-(2-methylpropyl)-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 116514314
1-ethyl-3-(2-methoxyethyl)-2-[[4-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110939469
1-ethyl-3-(2-phenylethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 111134633
1-ethyl-3-(2-methoxyethyl)-2-[(4-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 110941636

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine?
The IUPAC name of 1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine (CID 116511985) is 1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine?
The canonical SMILES for 1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine is COCCN/C(=N\Cc1ccc(S(N)(=O)=O)cc1)NN.
What is the InChIKey of 1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine?
The InChIKey is OFJOKASLMOUEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-19-7-6-14-11(16-12)15-8-9-2-4-10(5-3-9)20(13,17)18/h2-5H,6-8,12H2,1H3,(H2,13,17,18)(H2,14,15,16).
What are the key properties of 1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine?
1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine has a molecular weight of 301.37 g/mol, XLogP of -1.11, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methoxyethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine is sourced from PubChem (CID 116511985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).