2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid

C10H15NO4S2 — CID 80540211

IUPAC2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
SMILESCc1ccc(S(=O)(=O)NCCC(C)C(=O)O)s1
InChIInChI=1S/C10H15NO4S2/c1-7(10(12)13)5-6-11-17(14,15)9-4-3-8(2)16-9/h3-4,7,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyUQPVQXAYGMHMBX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.45
Rot. Bonds6

About 2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid

2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid (PubChem CID 80540211) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
PubChem CID80540211
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
SMILESCc1ccc(S(=O)(=O)NCCC(C)C(=O)O)s1
InChIInChI=1S/C10H15NO4S2/c1-7(10(12)13)5-6-11-17(14,15)9-4-3-8(2)16-9/h3-4,7,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyUQPVQXAYGMHMBX-UHFFFAOYSA-N
XLogP1.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
CID 106265760
3-methyl-2-[[(5-methylthiophen-2-yl)sulfonylamino]methyl]butanoic acid
CID 65221421
(2S)-2-[(5-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 61145094
4-[(4-iodophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540438
(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 42255745
4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 62478448
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
N-(2-aminopropyl)-5-methylthiophene-2-sulfonamide
CID 63732116
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
2,2-dimethyl-3-[(5-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 115427424
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methylthiophene-2-sulfonamide
CID 121133162

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid?
The IUPAC name of 2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid (CID 80540211) is 2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid is Cc1ccc(S(=O)(=O)NCCC(C)C(=O)O)s1.
What is the InChIKey of 2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid?
The InChIKey is UQPVQXAYGMHMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-7(10(12)13)5-6-11-17(14,15)9-4-3-8(2)16-9/h3-4,7,11H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid?
2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid has a molecular weight of 277.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 80540211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).