2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid

C8H11N3O6S — CID 24694160

IUPAC2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid
SMILESCN(C)S(=O)(=O)c1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O6S/c1-10(2)18(16,17)5-3-11(4-6(12)13)8(15)9-7(5)14/h3H,4H2,1-2H3,(H,12,13)(H,9,14,15)
InChIKeyNEDLPSWHEVZPFR-UHFFFAOYSA-N
MW277.26 g/mol
LogP-2.13
Rot. Bonds4

About 2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid

2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid (PubChem CID 24694160) has the molecular formula C8H11N3O6S and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid
PubChem CID24694160
Molecular FormulaC8H11N3O6S
Molecular Weight277.26 g/mol
Exact Mass277.04
IUPAC Name2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid
SMILESCN(C)S(=O)(=O)c1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O6S/c1-10(2)18(16,17)5-3-11(4-6(12)13)8(15)9-7(5)14/h3H,4H2,1-2H3,(H,12,13)(H,9,14,15)
InChIKeyNEDLPSWHEVZPFR-UHFFFAOYSA-N
XLogP-2.13
TPSA129.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 5-2.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid (CID 24694160) is 2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid is CN(C)S(=O)(=O)c1cn(CC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid?
The InChIKey is NEDLPSWHEVZPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O6S/c1-10(2)18(16,17)5-3-11(4-6(12)13)8(15)9-7(5)14/h3H,4H2,1-2H3,(H,12,13)(H,9,14,15).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid?
2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid has a molecular weight of 277.26 g/mol, XLogP of -2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid is sourced from PubChem (CID 24694160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).