1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide

C10H19N3O2S — CID 21021034

IUPAC1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C10H19N3O2S/c1-9(2)5-4-6-12-16(14,15)10-7-13(3)8-11-10/h7-9,12H,4-6H2,1-3H3
InChIKeyPUPVJPMOWRUQQZ-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.13
Rot. Bonds6

About 1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide

1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide (PubChem CID 21021034) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide
PubChem CID21021034
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C10H19N3O2S/c1-9(2)5-4-6-12-16(14,15)10-7-13(3)8-11-10/h7-9,12H,4-6H2,1-3H3
InChIKeyPUPVJPMOWRUQQZ-UHFFFAOYSA-N
XLogP1.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide (CID 21021034) is 1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide is CC(C)CCCNS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of 1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide?
The InChIKey is PUPVJPMOWRUQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-9(2)5-4-6-12-16(14,15)10-7-13(3)8-11-10/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide?
1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylpentyl)imidazole-4-sulfonamide is sourced from PubChem (CID 21021034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).