1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride

C14H29Cl2N5O2S — CID 119994593

IUPAC1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride
SMILESCC(C)Cn1cnc(S(=O)(=O)NCCCN2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C14H27N5O2S.2ClH/c1-13(2)10-19-11-14(16-12-19)22(20,21)17-4-3-7-18-8-5-15-6-9-18;;/h11-13,15,17H,3-10H2,1-2H3;2*1H
InChIKeyCLPBIJVFWGIKHD-UHFFFAOYSA-N
MW402.39 g/mol
LogP0.96
Rot. Bonds8

About 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride

1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride (PubChem CID 119994593) has the molecular formula C14H29Cl2N5O2S and a molecular weight of 402.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride
PubChem CID119994593
Molecular FormulaC14H29Cl2N5O2S
Molecular Weight402.39 g/mol
Exact Mass401.14
IUPAC Name1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride
SMILESCC(C)Cn1cnc(S(=O)(=O)NCCCN2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C14H27N5O2S.2ClH/c1-13(2)10-19-11-14(16-12-19)22(20,21)17-4-3-7-18-8-5-15-6-9-18;;/h11-13,15,17H,3-10H2,1-2H3;2*1H
InChIKeyCLPBIJVFWGIKHD-UHFFFAOYSA-N
XLogP0.96
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride 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-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide;dihydrochloride
CID 119966513
N-[2-(methylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide
CID 119973176
N-[2-(2-methoxyethylamino)ethyl]-1-(2-methylpropyl)imidazole-4-sulfonamide;hydrochloride
CID 120717685
1-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide;hydrochloride
CID 3078101
N-(3-piperazin-1-ylpropyl)pyridine-3-sulfonamide;dihydrochloride
CID 119994569
N-methyl-1-(2-methylpropyl)-N-piperidin-4-ylimidazole-4-sulfonamide
CID 119965904
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 106846497
4-fluoro-2,6-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 120706430
N-(1-amino-2-methylpropan-2-yl)-1-(2-methylpropyl)imidazole-4-sulfonamide
CID 119975645
1-[3-[bis(3-methylbutyl)sulfamoylamino]propyl]piperazine;dihydrochloride
CID 119994783
2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide
CID 120706370

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride?
The IUPAC name of 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride (CID 119994593) is 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride.
What is the SMILES notation for 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride?
The canonical SMILES for 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride is CC(C)Cn1cnc(S(=O)(=O)NCCCN2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride?
The InChIKey is CLPBIJVFWGIKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2S.2ClH/c1-13(2)10-19-11-14(16-12-19)22(20,21)17-4-3-7-18-8-5-15-6-9-18;;/h11-13,15,17H,3-10H2,1-2H3;2*1H.
What are the key properties of 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride?
1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride has a molecular weight of 402.39 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(3-piperazin-1-ylpropyl)imidazole-4-sulfonamide;dihydrochloride is sourced from PubChem (CID 119994593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).