2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide

C9H15N3O2S — CID 115897668

IUPAC2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-3-4-5-6-11-15(13,14)9-7-10-8(2)12-9/h3-4,7,11H,5-6H2,1-2H3,(H,10,12)/b4-3+
InChIKeyIVKQKYCOFTYTRB-ONEGZZNKSA-N
MW229.31 g/mol
LogP0.96
Rot. Bonds5

About 2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide

2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide (PubChem CID 115897668) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide
PubChem CID115897668
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1cnc(C)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-3-4-5-6-11-15(13,14)9-7-10-8(2)12-9/h3-4,7,11H,5-6H2,1-2H3,(H,10,12)/b4-3+
InChIKeyIVKQKYCOFTYTRB-ONEGZZNKSA-N
XLogP0.96
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 64531508
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692
2-methyl-N-[2-(2-methylphenyl)ethyl]-1H-imidazole-5-sulfonamide
CID 79755225
2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide
CID 115897720
N'-hydroxy-5-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]pentanimidamide
CID 77036688
4,4-dimethyl-6-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]hexanoic acid
CID 65284923
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103080924
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide
CID 79555580
N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide
CID 115628631
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103861343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide (CID 115897668) is 2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide is C/C=C/CCNS(=O)(=O)c1cnc(C)[nH]1.
What is the InChIKey of 2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide?
The InChIKey is IVKQKYCOFTYTRB-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-4-5-6-11-15(13,14)9-7-10-8(2)12-9/h3-4,7,11H,5-6H2,1-2H3,(H,10,12)/b4-3+.
What are the key properties of 2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide?
2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide has a molecular weight of 229.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-pent-3-enyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 115897668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).