2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide

C13H23N3O3S — CID 114466971

IUPAC2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide
SMILESC=C(C)COCCNS(=O)(=O)c1cn(CCC)c(C)n1
InChIInChI=1S/C13H23N3O3S/c1-5-7-16-9-13(15-12(16)4)20(17,18)14-6-8-19-10-11(2)3/h9,14H,2,5-8,10H2,1,3-4H3
InChIKeyRFRIVVUAAQDMLX-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.47
Rot. Bonds9

About 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide

2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide (PubChem CID 114466971) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide
PubChem CID114466971
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide
SMILESC=C(C)COCCNS(=O)(=O)c1cn(CCC)c(C)n1
InChIInChI=1S/C13H23N3O3S/c1-5-7-16-9-13(15-12(16)4)20(17,18)14-6-8-19-10-11(2)3/h9,14H,2,5-8,10H2,1,3-4H3
InChIKeyRFRIVVUAAQDMLX-UHFFFAOYSA-N
XLogP1.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291
N-(2-hydroxyethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62065157
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 115456592
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
N-hex-5-ynyl-2-methyl-1-propylimidazole-4-sulfonamide
CID 106210109
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 65231693
N-(3-amino-2,2-dimethylpropyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 115365923
N-(4-bromo-2-methylbutyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 114295175
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312
N-(2-hydroxy-4,4-dimethylpentyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 107155350
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]butanoic acid
CID 55030199
5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 113258245

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide (CID 114466971) is 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide is C=C(C)COCCNS(=O)(=O)c1cn(CCC)c(C)n1.
What is the InChIKey of 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide?
The InChIKey is RFRIVVUAAQDMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-5-7-16-9-13(15-12(16)4)20(17,18)14-6-8-19-10-11(2)3/h9,14H,2,5-8,10H2,1,3-4H3.
What are the key properties of 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide?
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 114466971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).