N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide

C10H19N3O2S2 — CID 113414965

IUPACN-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide
SMILESCSCCCCCCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C10H19N3O2S2/c1-16-7-5-3-2-4-6-13-17(14,15)10-8-11-9-12-10/h8-9,13H,2-7H2,1H3,(H,11,12)
InChIKeyYPSUIQSBKOXEQK-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.61
Rot. Bonds9

About N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide

N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide (PubChem CID 113414965) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide
PubChem CID113414965
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC NameN-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide
SMILESCSCCCCCCNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C10H19N3O2S2/c1-16-7-5-3-2-4-6-13-17(14,15)10-8-11-9-12-10/h8-9,13H,2-7H2,1H3,(H,11,12)
InChIKeyYPSUIQSBKOXEQK-UHFFFAOYSA-N
XLogP1.61
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-methylsulfanylhexyl)-1H-imidazole-5-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-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
N-(4-bromobutyl)-1H-imidazole-5-sulfonamide
CID 106846730
N-(5-methylhexyl)-1H-imidazole-5-sulfonamide
CID 79002686
N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide
CID 106158955
N-(3-bromobutyl)-1H-imidazole-5-sulfonamide
CID 114297759
N-(2-propan-2-yloxyethyl)-1H-imidazole-5-sulfonamide
CID 104600676
N-[2-(ethylsulfamoyl)ethyl]-1H-imidazole-5-sulfonamide
CID 103680432
N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 104594035
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide
CID 103835702
N-cyclopropyl-4-(1H-imidazol-5-ylsulfonylamino)butanamide
CID 78996204
N-(3-chloro-4-methoxybutyl)-1H-imidazole-5-sulfonamide
CID 106245540
5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide
CID 106000682

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide (CID 113414965) is N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide is CSCCCCCCNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide?
The InChIKey is YPSUIQSBKOXEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-16-7-5-3-2-4-6-13-17(14,15)10-8-11-9-12-10/h8-9,13H,2-7H2,1H3,(H,11,12).
What are the key properties of N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide?
N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfanylhexyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 113414965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).