1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide

C11H19N3O2S — CID 115875712

IUPAC1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C11H19N3O2S/c1-4-6-7-8-12-17(15,16)11-9-14(5-2)10(3)13-11/h4,6,9,12H,5,7-8H2,1-3H3/b6-4+
InChIKeyRVEDUEUBFZMMHO-GQCTYLIASA-N
MW257.36 g/mol
LogP1.46
Rot. Bonds6

About 1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide

1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide (PubChem CID 115875712) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide
PubChem CID115875712
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1cn(CC)c(C)n1
InChIInChI=1S/C11H19N3O2S/c1-4-6-7-8-12-17(15,16)11-9-14(5-2)10(3)13-11/h4,6,9,12H,5,7-8H2,1-3H3/b6-4+
InChIKeyRVEDUEUBFZMMHO-GQCTYLIASA-N
XLogP1.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-ethyl-2-methyl-N-[2-(methylamino)ethyl]imidazole-4-sulfonamide
CID 62657789
3-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]propanethioamide
CID 62666905
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
1-ethyl-N-(3-hydroxypentyl)-2-methylimidazole-4-sulfonamide
CID 115875750
N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 65030909
1-ethyl-N-(2-ethyl-2-hydroxybutyl)-2-methylimidazole-4-sulfonamide
CID 65112739
N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104873356
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 114419083
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylimidazole-4-sulfonamide
CID 107232092
1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylimidazole-4-sulfonamide
CID 62064468

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide (CID 115875712) is 1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide is C/C=C/CCNS(=O)(=O)c1cn(CC)c(C)n1.
What is the InChIKey of 1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide?
The InChIKey is RVEDUEUBFZMMHO-GQCTYLIASA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-6-7-8-12-17(15,16)11-9-14(5-2)10(3)13-11/h4,6,9,12H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of 1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[(E)-pent-3-enyl]imidazole-4-sulfonamide is sourced from PubChem (CID 115875712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).