2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid

C11H16N2O6S — CID 119346496

IUPAC2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H16N2O6S/c1-7-8(11(16)13(4)6-9(14)15)5-10(19-7)20(17,18)12(2)3/h5H,6H2,1-4H3,(H,14,15)
InChIKeyIVANWTUWQOKUDP-UHFFFAOYSA-N
MW304.32 g/mol
LogP-0.01
Rot. Bonds5

About 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid

2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid (PubChem CID 119346496) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid
PubChem CID119346496
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H16N2O6S/c1-7-8(11(16)13(4)6-9(14)15)5-10(19-7)20(17,18)12(2)3/h5H,6H2,1-4H3,(H,14,15)
InChIKeyIVANWTUWQOKUDP-UHFFFAOYSA-N
XLogP-0.01
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 5-0.01
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-methylfuran-3-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid (CID 119346496) is 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid is Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid?
The InChIKey is IVANWTUWQOKUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-7-8(11(16)13(4)6-9(14)15)5-10(19-7)20(17,18)12(2)3/h5H,6H2,1-4H3,(H,14,15).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid?
2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid has a molecular weight of 304.32 g/mol, XLogP of -0.01, 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-methylfuran-3-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 119346496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).