2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide

C7H12N4O4S — CID 112673463

IUPAC2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide
SMILESCCc1ncc(S(=O)(=O)NOCC(N)=O)[nH]1
InChIInChI=1S/C7H12N4O4S/c1-2-6-9-3-7(10-6)16(13,14)11-15-4-5(8)12/h3,11H,2,4H2,1H3,(H2,8,12)(H,9,10)
InChIKeyIYVRGHHLRZLAFG-UHFFFAOYSA-N
MW248.26 g/mol
LogP-1.33
Rot. Bonds6

About 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide

2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide (PubChem CID 112673463) has the molecular formula C7H12N4O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide
PubChem CID112673463
Molecular FormulaC7H12N4O4S
Molecular Weight248.26 g/mol
Exact Mass248.06
IUPAC Name2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide
SMILESCCc1ncc(S(=O)(=O)NOCC(N)=O)[nH]1
InChIInChI=1S/C7H12N4O4S/c1-2-6-9-3-7(10-6)16(13,14)11-15-4-5(8)12/h3,11H,2,4H2,1H3,(H2,8,12)(H,9,10)
InChIKeyIYVRGHHLRZLAFG-UHFFFAOYSA-N
XLogP-1.33
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64149278
2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-imidazole-5-sulfonamide
CID 64150068
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-5-sulfonamide
CID 64151729
2-ethyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide
CID 82715699
2-methyl-N-(2,2,2-trifluoroethoxy)-1H-imidazole-5-sulfonamide
CID 82715924
N-[2-(2,2-difluoroethoxy)ethyl]-2-ethyl-1H-imidazole-5-sulfonamide
CID 105920436
N-(2,2-difluoroethyl)-2-ethyl-N-(2-hydroxyethyl)-1H-imidazole-5-sulfonamide
CID 107482254
2-(Propan-2-yl)-1H-imidazole-4-sulfonamide
CID 79472608
2-(hydroxyiminomethyl)-N,N-dimethyl-1H-imidazole-5-sulfonamide
CID 136467304
2-[ethyl-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]amino]-N-methylacetamide
CID 64147263
ethyl 2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl-propylamino]acetate
CID 64147282
methyl 3-[ethyl-[(2-methyl-1H-imidazol-5-yl)sulfonyl]amino]propanoate
CID 64147283

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide?
The IUPAC name of 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide (CID 112673463) is 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide.
What is the SMILES notation for 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide?
The canonical SMILES for 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide is CCc1ncc(S(=O)(=O)NOCC(N)=O)[nH]1.
What is the InChIKey of 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide?
The InChIKey is IYVRGHHLRZLAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4S/c1-2-6-9-3-7(10-6)16(13,14)11-15-4-5(8)12/h3,11H,2,4H2,1H3,(H2,8,12)(H,9,10).
What are the key properties of 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide?
2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide has a molecular weight of 248.26 g/mol, XLogP of -1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]oxyacetamide is sourced from PubChem (CID 112673463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).