1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole

C12H25N5O2S — CID 106010320

IUPAC1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole
SMILESCCNCCCN(C)S(=O)(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C12H25N5O2S/c1-4-13-6-5-8-16(3)20(18,19)15-12(2)10-17-9-7-14-11-17/h7,9,11-13,15H,4-6,8,10H2,1-3H3
InChIKeyKSINDOQBZKWTBB-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.04
Rot. Bonds10

About 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole

1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole (PubChem CID 106010320) has the molecular formula C12H25N5O2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole.

Molecular Properties

Compound Name1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole
PubChem CID106010320
Molecular FormulaC12H25N5O2S
Molecular Weight303.43 g/mol
Exact Mass303.17
IUPAC Name1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole
SMILESCCNCCCN(C)S(=O)(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C12H25N5O2S/c1-4-13-6-5-8-16(3)20(18,19)15-12(2)10-17-9-7-14-11-17/h7,9,11-13,15H,4-6,8,10H2,1-3H3
InChIKeyKSINDOQBZKWTBB-UHFFFAOYSA-N
XLogP0.04
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole 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-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]imidazole
CID 106018170
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine
CID 106050972
1-[2-(sulfamoylamino)propyl]imidazole
CID 112686375
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
CID 79589560
2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
CID 61482816
N-(1-imidazol-1-ylpropan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106009921
1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole
CID 56812922
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 81242155
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine
CID 114141697
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
CID 62152924
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole?
The IUPAC name of 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole (CID 106010320) is 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole.
What is the SMILES notation for 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole?
The canonical SMILES for 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole is CCNCCCN(C)S(=O)(=O)NC(C)Cn1ccnc1.
What is the InChIKey of 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole?
The InChIKey is KSINDOQBZKWTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2S/c1-4-13-6-5-8-16(3)20(18,19)15-12(2)10-17-9-7-14-11-17/h7,9,11-13,15H,4-6,8,10H2,1-3H3.
What are the key properties of 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole?
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole has a molecular weight of 303.43 g/mol, XLogP of 0.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole is sourced from PubChem (CID 106010320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).