2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide

C12H13N3O4S — CID 113451704

IUPAC2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide
SMILESCc1ccc(S(=O)(=O)NOCC(N)=O)c2cccnc12
InChIInChI=1S/C12H13N3O4S/c1-8-4-5-10(9-3-2-6-14-12(8)9)20(17,18)15-19-7-11(13)16/h2-6,15H,7H2,1H3,(H2,13,16)
InChIKeyYXDNVENUMAPGQM-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.24
Rot. Bonds5

About 2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide

2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide (PubChem CID 113451704) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide
PubChem CID113451704
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide
SMILESCc1ccc(S(=O)(=O)NOCC(N)=O)c2cccnc12
InChIInChI=1S/C12H13N3O4S/c1-8-4-5-10(9-3-2-6-14-12(8)9)20(17,18)15-19-7-11(13)16/h2-6,15H,7H2,1H3,(H2,13,16)
InChIKeyYXDNVENUMAPGQM-UHFFFAOYSA-N
XLogP0.24
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.24
H-Bond Donors ≤ 52
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-(quinolin-5-ylsulfonylamino)oxyacetamide
CID 113451705
2-[(8-methylquinolin-5-yl)sulfonylamino]ethanethioamide
CID 104773629
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591258
3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
CID 104774314
2-[(3-fluoro-2-pyridinyl)sulfonylamino]oxyacetamide
CID 103298965
2-[(8-methylquinolin-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 134002702
2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 104773542
(2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 103862690
N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591254
1-[(8-methylquinolin-5-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 115578255
N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide
CID 106181485

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide?
The IUPAC name of 2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide (CID 113451704) is 2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide.
What is the SMILES notation for 2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide?
The canonical SMILES for 2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide is Cc1ccc(S(=O)(=O)NOCC(N)=O)c2cccnc12.
What is the InChIKey of 2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide?
The InChIKey is YXDNVENUMAPGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-8-4-5-10(9-3-2-6-14-12(8)9)20(17,18)15-19-7-11(13)16/h2-6,15H,7H2,1H3,(H2,13,16).
What are the key properties of 2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide?
2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide has a molecular weight of 295.32 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide is sourced from PubChem (CID 113451704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).