2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid

C9H13N3O5S — CID 103340909

IUPAC2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
SMILESCN(C)S(=O)(=O)c1ccc(NOCC(=O)O)nc1
InChIInChI=1S/C9H13N3O5S/c1-12(2)18(15,16)7-3-4-8(10-5-7)11-17-6-9(13)14/h3-5H,6H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyVIPVIXWLAUXNTI-UHFFFAOYSA-N
MW275.29 g/mol
LogP-0.24
Rot. Bonds6

About 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid

2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid (PubChem CID 103340909) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
PubChem CID103340909
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid
SMILESCN(C)S(=O)(=O)c1ccc(NOCC(=O)O)nc1
InChIInChI=1S/C9H13N3O5S/c1-12(2)18(15,16)7-3-4-8(10-5-7)11-17-6-9(13)14/h3-5H,6H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyVIPVIXWLAUXNTI-UHFFFAOYSA-N
XLogP-0.24
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid
CID 103341256
3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340902
5-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 103340904
6-[(2-methoxy-2-methylpropyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103704076
6-(cyclopropylmethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113234561
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide
CID 104925729
ethyl 3-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]propanoate
CID 103340848
N,N-dimethyl-6-(prop-2-ynylamino)pyridine-3-sulfonamide
CID 103340991
6-(2,2-dimethoxyethylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 107389803
N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113227585
6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113250552

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid (CID 103340909) is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid is CN(C)S(=O)(=O)c1ccc(NOCC(=O)O)nc1.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid?
The InChIKey is VIPVIXWLAUXNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-12(2)18(15,16)7-3-4-8(10-5-7)11-17-6-9(13)14/h3-5H,6H2,1-2H3,(H,10,11)(H,13,14).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid?
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid has a molecular weight of 275.29 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]oxyacetic acid is sourced from PubChem (CID 103340909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).