3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid

C9H13NO5S2 — CID 82720672

IUPAC3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)(C)ONS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C9H13NO5S2/c1-9(2,3)15-10-17(13,14)6-4-5-16-7(6)8(11)12/h4-5,10H,1-3H3,(H,11,12)
InChIKeyCECAUQSWFDGWOW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.45
Rot. Bonds4

About 3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid

3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid (PubChem CID 82720672) has the molecular formula C9H13NO5S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid
PubChem CID82720672
Molecular FormulaC9H13NO5S2
Molecular Weight279.34 g/mol
Exact Mass279.02
IUPAC Name3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)(C)ONS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C9H13NO5S2/c1-9(2,3)15-10-17(13,14)6-4-5-16-7(6)8(11)12/h4-5,10H,1-3H3,(H,11,12)
InChIKeyCECAUQSWFDGWOW-UHFFFAOYSA-N
XLogP1.45
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.45
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

3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 54950851
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 64551364
3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235697
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid
CID 79090175
3-sulfothiophene-2-carboxylic acid;hydrochloride
CID 174927942
3-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 17221141
3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62811245
3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43609997

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid (CID 82720672) is 3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid is CC(C)(C)ONS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is CECAUQSWFDGWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5S2/c1-9(2,3)15-10-17(13,14)6-4-5-16-7(6)8(11)12/h4-5,10H,1-3H3,(H,11,12).
What are the key properties of 3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid?
3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 82720672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).