2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid

C10H15NO4S2 — CID 61262302

IUPAC2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCc1cc(S(=O)(=O)NC(C)(C)C(=O)O)c(C)s1
InChIInChI=1S/C10H15NO4S2/c1-6-5-8(7(2)16-6)17(14,15)11-10(3,4)9(12)13/h5,11H,1-4H3,(H,12,13)
InChIKeyQELGBBHBOJYVCY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.51
Rot. Bonds4

About 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid

2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 61262302) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid
PubChem CID61262302
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCc1cc(S(=O)(=O)NC(C)(C)C(=O)O)c(C)s1
InChIInChI=1S/C10H15NO4S2/c1-6-5-8(7(2)16-6)17(14,15)11-10(3,4)9(12)13/h5,11H,1-4H3,(H,12,13)
InChIKeyQELGBBHBOJYVCY-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid (CID 61262302) is 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid is Cc1cc(S(=O)(=O)NC(C)(C)C(=O)O)c(C)s1.
What is the InChIKey of 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is QELGBBHBOJYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-6-5-8(7(2)16-6)17(14,15)11-10(3,4)9(12)13/h5,11H,1-4H3,(H,12,13).
What are the key properties of 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid?
2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 277.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 61262302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).