2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide

C10H17N3O3S — CID 114265073

IUPAC2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide
SMILESC=CCOCCNS(=O)(=O)c1cnc(CC)[nH]1
InChIInChI=1S/C10H17N3O3S/c1-3-6-16-7-5-12-17(14,15)10-8-11-9(4-2)13-10/h3,8,12H,1,4-7H2,2H3,(H,11,13)
InChIKeyABHDGNAZSZWMKF-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.45
Rot. Bonds8

About 2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide

2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide (PubChem CID 114265073) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide
PubChem CID114265073
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide
SMILESC=CCOCCNS(=O)(=O)c1cnc(CC)[nH]1
InChIInChI=1S/C10H17N3O3S/c1-3-6-16-7-5-12-17(14,15)10-8-11-9(4-2)13-10/h3,8,12H,1,4-7H2,2H3,(H,11,13)
InChIKeyABHDGNAZSZWMKF-UHFFFAOYSA-N
XLogP0.45
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-(2-prop-2-enoxyethyl)-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

2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]ethyl carbamate
CID 83204432
2-ethyl-N-(2-ethylsulfonylethyl)-1H-imidazole-5-sulfonamide
CID 114111971
N-(2-bromoethyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114298250
N-(3-bromo-4-methoxybutyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106245580
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 113430471
N-(2-amino-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 115303585
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 77021142
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
CID 64693083
2-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1H-imidazole-5-sulfonamide
CID 106306704
N-(3-chloro-2-methylpropyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 65036950
N-(2-bromo-3-ethylpentyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 106288635
N-[[4-(chloromethyl)phenyl]methyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 107234053

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide (CID 114265073) is 2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide is C=CCOCCNS(=O)(=O)c1cnc(CC)[nH]1.
What is the InChIKey of 2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide?
The InChIKey is ABHDGNAZSZWMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-3-6-16-7-5-12-17(14,15)10-8-11-9(4-2)13-10/h3,8,12H,1,4-7H2,2H3,(H,11,13).
What are the key properties of 2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide?
2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-prop-2-enoxyethyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114265073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).