3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid

C10H15NO4S2 — CID 114915284

IUPAC3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H15NO4S2/c1-6-5-16-8(9(12)13)7(6)11-17(14,15)10(2,3)4/h5,11H,1-4H3,(H,12,13)
InChIKeyUGBCSWLRTHFERB-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.29
Rot. Bonds3

About 3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid

3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid (PubChem CID 114915284) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid
PubChem CID114915284
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H15NO4S2/c1-6-5-16-8(9(12)13)7(6)11-17(14,15)10(2,3)4/h5,11H,1-4H3,(H,12,13)
InChIKeyUGBCSWLRTHFERB-UHFFFAOYSA-N
XLogP2.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
CID 114915305
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
CID 114915192
4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid
CID 114915175
3-(cyclohexylmethylsulfonylamino)-4-methylthiophene-2-carboxylic acid
CID 114915193
3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
CID 114915204
3-[[4-tert-butyl-2-(2-cyclopropylethenyl)phenyl]sulfonylamino]-4-methylthiophene-2-carboxylic acid
CID 67520873
4-methyl-3-[(3-methyl-2-propan-2-ylbutanoyl)amino]thiophene-2-carboxylic acid
CID 114282186
3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914554
3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114914681
3-[(2,6-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747945
4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747571
4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914762

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid (CID 114915284) is 3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NS(=O)(=O)C(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid?
The InChIKey is UGBCSWLRTHFERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-6-5-16-8(9(12)13)7(6)11-17(14,15)10(2,3)4/h5,11H,1-4H3,(H,12,13).
What are the key properties of 3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid?
3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfonylamino)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114915284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).