N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide

C12H24N4O2S — CID 106054419

IUPACN-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NCCCCn1ccnc1
InChIInChI=1S/C12H24N4O2S/c1-13-6-3-5-11-19(17,18)15-7-2-4-9-16-10-8-14-12-16/h8,10,12-13,15H,2-7,9,11H2,1H3
InChIKeyNCQXGFLBKLGIKC-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.58
Rot. Bonds11

About N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide

N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide (PubChem CID 106054419) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide
PubChem CID106054419
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NCCCCn1ccnc1
InChIInChI=1S/C12H24N4O2S/c1-13-6-3-5-11-19(17,18)15-7-2-4-9-16-10-8-14-12-16/h8,10,12-13,15H,2-7,9,11H2,1H3
InChIKeyNCQXGFLBKLGIKC-UHFFFAOYSA-N
XLogP0.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide 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

N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069
N-(6-imidazol-1-ylhexyl)methanesulfonamide
CID 110441232
2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide
CID 140993558
4-imidazol-1-ylbutane-1-sulfonic acid;sulfuric acid
CID 175825454
N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide
CID 140993552
1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole
CID 56812922
3-(methylamino)-N-[3-(triazol-1-yl)propyl]propane-1-sulfonamide
CID 106077027
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
N-(4-imidazol-1-ylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79201805
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
4-imidazol-1-ylbutylhydrazine
CID 86114724
N-but-3-ynyl-4-imidazol-1-ylbutan-1-amine
CID 63656270

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide (CID 106054419) is N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)NCCCCn1ccnc1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide?
The InChIKey is NCQXGFLBKLGIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-13-6-3-5-11-19(17,18)15-7-2-4-9-16-10-8-14-12-16/h8,10,12-13,15H,2-7,9,11H2,1H3.
What are the key properties of N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide?
N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.58, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 106054419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).