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

C10H14N2O4S2 — CID 103602501

IUPAC2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
SMILESCC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)O
InChIInChI=1S/C10H14N2O4S2/c1-7(10(13)14)17-9-5-4-8(6-11-9)18(15,16)12(2)3/h4-7H,1-3H3,(H,13,14)
InChIKeyCVMSAGBDWWSBHR-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.90
Rot. Bonds5

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

2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid (PubChem CID 103602501) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
PubChem CID103602501
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
SMILESCC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)O
InChIInChI=1S/C10H14N2O4S2/c1-7(10(13)14)17-9-5-4-8(6-11-9)18(15,16)12(2)3/h4-7H,1-3H3,(H,13,14)
InChIKeyCVMSAGBDWWSBHR-UHFFFAOYSA-N
XLogP0.90
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.90
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]propanoic acid?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid (CID 103602501) is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid is CC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)O.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid?
The InChIKey is CVMSAGBDWWSBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-7(10(13)14)17-9-5-4-8(6-11-9)18(15,16)12(2)3/h4-7H,1-3H3,(H,13,14).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid?
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid has a molecular weight of 290.37 g/mol, XLogP of 0.90, 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]propanoic acid is sourced from PubChem (CID 103602501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).