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

C9H15N5O2S — CID 116512166

IUPAC1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine
SMILESCC/N=C(\NN)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H15N5O2S/c1-2-12-9(14-10)13-7-4-3-5-8(6-7)17(11,15)16/h3-6H,2,10H2,1H3,(H2,11,15,16)(H2,12,13,14)
InChIKeyDFVTZBYERQRHDJ-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.41
Rot. Bonds3

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

1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine (PubChem CID 116512166) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine
PubChem CID116512166
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine
SMILESCC/N=C(\NN)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H15N5O2S/c1-2-12-9(14-10)13-7-4-3-5-8(6-7)17(11,15)16/h3-6H,2,10H2,1H3,(H2,11,15,16)(H2,12,13,14)
InChIKeyDFVTZBYERQRHDJ-UHFFFAOYSA-N
XLogP-0.41
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

Analyze 1-amino-2-ethyl-3-(3-sulfamoylphenyl)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-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine
CID 116511461
3-(2,2-dimethylpropylamino)benzenesulfonamide;methane
CID 159144655
1-propyl-3-(3-sulfamoylphenyl)thiourea
CID 8620369
2-(ethylamino)-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55121317
1-(3-ethylphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine
CID 111059401
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
[2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate
CID 7790348
3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583
(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
CID 107143839
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486
3-(ethylsulfamoylamino)benzenesulfonamide
CID 114812411

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine?
The IUPAC name of 1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine (CID 116512166) is 1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine.
What is the SMILES notation for 1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine?
The canonical SMILES for 1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine is CC/N=C(\NN)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine?
The InChIKey is DFVTZBYERQRHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-2-12-9(14-10)13-7-4-3-5-8(6-7)17(11,15)16/h3-6H,2,10H2,1H3,(H2,11,15,16)(H2,12,13,14).
What are the key properties of 1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine?
1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine has a molecular weight of 257.32 g/mol, XLogP of -0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethyl-3-(3-sulfamoylphenyl)guanidine is sourced from PubChem (CID 116512166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).