3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid

C10H15NO4S2 — CID 61167041

IUPAC3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(C)(C)CNS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C10H15NO4S2/c1-10(2,3)6-11-17(14,15)7-4-5-16-8(7)9(12)13/h4-5,11H,6H2,1-3H3,(H,12,13)
InChIKeyPDMMUMXMDHPSOU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.77
Rot. Bonds4

About 3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid

3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61167041) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61167041
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(C)(C)CNS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C10H15NO4S2/c1-10(2,3)6-11-17(14,15)7-4-5-16-8(7)9(12)13/h4-5,11H,6H2,1-3H3,(H,12,13)
InChIKeyPDMMUMXMDHPSOU-UHFFFAOYSA-N
XLogP1.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 114153141
3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 114169173
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 60925499
3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43235766
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979
3-(4,4,4-trifluorobutylsulfamoyl)thiophene-2-carboxylic acid
CID 113326823
3-(4-methylpentylsulfamoyl)thiophene-2-carboxylic acid
CID 60745563
3-[(2-methylpropan-2-yl)oxysulfamoyl]thiophene-2-carboxylic acid
CID 82720672
3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
CID 107316565
3-[(4-ethoxy-4-oxobutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60709040

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid (CID 61167041) is 3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid is CC(C)(C)CNS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is PDMMUMXMDHPSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-10(2,3)6-11-17(14,15)7-4-5-16-8(7)9(12)13/h4-5,11H,6H2,1-3H3,(H,12,13).
What are the key properties of 3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid?
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61167041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).