2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid

C11H16N2O4S2 — CID 103340937

IUPAC2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid
SMILESCN(C)S(=O)(=O)c1ccc(SC(C)(C)C(=O)O)nc1
InChIInChI=1S/C11H16N2O4S2/c1-11(2,10(14)15)18-9-6-5-8(7-12-9)19(16,17)13(3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyHVOKVOVTFPJMNX-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.29
Rot. Bonds5

About 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid

2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid (PubChem CID 103340937) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid
PubChem CID103340937
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid
SMILESCN(C)S(=O)(=O)c1ccc(SC(C)(C)C(=O)O)nc1
InChIInChI=1S/C11H16N2O4S2/c1-11(2,10(14)15)18-9-6-5-8(7-12-9)19(16,17)13(3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyHVOKVOVTFPJMNX-UHFFFAOYSA-N
XLogP1.29
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid (CID 103340937) is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid is CN(C)S(=O)(=O)c1ccc(SC(C)(C)C(=O)O)nc1.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid?
The InChIKey is HVOKVOVTFPJMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-11(2,10(14)15)18-9-6-5-8(7-12-9)19(16,17)13(3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid?
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid has a molecular weight of 304.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-2-methylpropanoic acid is sourced from PubChem (CID 103340937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).