2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid

C10H15NO5S2 — CID 167953223

IUPAC2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid
SMILESCc1cc(S(=O)(=O)NOC(C)(C)C(=O)O)sc1C
InChIInChI=1S/C10H15NO5S2/c1-6-5-8(17-7(6)2)18(14,15)11-16-10(3,4)9(12)13/h5,11H,1-4H3,(H,12,13)
InChIKeyCMJPQRBWJFZLII-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.44
Rot. Bonds5

About 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid

2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid (PubChem CID 167953223) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid
PubChem CID167953223
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid
SMILESCc1cc(S(=O)(=O)NOC(C)(C)C(=O)O)sc1C
InChIInChI=1S/C10H15NO5S2/c1-6-5-8(17-7(6)2)18(14,15)11-16-10(3,4)9(12)13/h5,11H,1-4H3,(H,12,13)
InChIKeyCMJPQRBWJFZLII-UHFFFAOYSA-N
XLogP1.44
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.44
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-[(2,5-difluoro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid
CID 167816256
2-[(3-chloro-4-methylphenyl)sulfonylamino]oxy-2-methylpropanoic acid
CID 166283566
2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 122067984
2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-4,4,4-trifluorobutanoic acid
CID 139003959
3-methyl-5-(2,2,2-trifluoroethoxysulfamoyl)thiophene-2-carboxylic acid
CID 82707235
3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid
CID 82706091
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79988823
4,5-dimethyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 84597266
2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide
CID 84596171
4-methyl-3-[(2-methylpropan-2-yl)oxysulfamoyl]benzoic acid
CID 82720467
tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate
CID 71755375
N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide
CID 97108846

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid (CID 167953223) is 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid is Cc1cc(S(=O)(=O)NOC(C)(C)C(=O)O)sc1C.
What is the InChIKey of 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid?
The InChIKey is CMJPQRBWJFZLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-6-5-8(17-7(6)2)18(14,15)11-16-10(3,4)9(12)13/h5,11H,1-4H3,(H,12,13).
What are the key properties of 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid?
2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]oxy-2-methylpropanoic acid is sourced from PubChem (CID 167953223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).