3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid

C11H17NO4S2 — CID 63857124

IUPAC3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)CCC(C)C)sc1C(=O)O
InChIInChI=1S/C11H17NO4S2/c1-7(2)4-5-18(15,16)12-9-6-8(3)10(17-9)11(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyVRXJGURKFYACGP-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.54
Rot. Bonds6

About 3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid

3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid (PubChem CID 63857124) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid
PubChem CID63857124
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)CCC(C)C)sc1C(=O)O
InChIInChI=1S/C11H17NO4S2/c1-7(2)4-5-18(15,16)12-9-6-8(3)10(17-9)11(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyVRXJGURKFYACGP-UHFFFAOYSA-N
XLogP2.54
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-(2-propan-2-yloxyethylsulfonylamino)thiophene-2-carboxylic acid
CID 79594958
3-methyl-5-(2-pyridin-4-ylethylsulfonylamino)thiophene-2-carboxylic acid
CID 60892478
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
CID 43361342
3-methyl-5-(5-methylhexylsulfamoyl)thiophene-2-carboxylic acid
CID 115325049
5-(2-methoxyethylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
CID 114814326
ethyl 5-(butylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 43406406
ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 43406404
5-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43361340
3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid
CID 82706091
ethyl 5-(3-methoxypropylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 63287775
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbutane-1-sulfonamide
CID 106831925

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid (CID 63857124) is 3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid is Cc1cc(NS(=O)(=O)CCC(C)C)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid?
The InChIKey is VRXJGURKFYACGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-7(2)4-5-18(15,16)12-9-6-8(3)10(17-9)11(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid?
3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylbutylsulfonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 63857124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).