3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid

C8H16N2O5S — CID 43375037

IUPAC3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid
SMILESCN(C)C(=O)CN(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-9(2)7(11)6-10(3)16(14,15)5-4-8(12)13/h4-6H2,1-3H3,(H,12,13)
InChIKeyNOWMLSREJPXMAS-UHFFFAOYSA-N
MW252.29 g/mol
LogP-1.19
Rot. Bonds6

About 3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid

3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid (PubChem CID 43375037) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid
PubChem CID43375037
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid
SMILESCN(C)C(=O)CN(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-9(2)7(11)6-10(3)16(14,15)5-4-8(12)13/h4-6H2,1-3H3,(H,12,13)
InChIKeyNOWMLSREJPXMAS-UHFFFAOYSA-N
XLogP-1.19
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid (CID 43375037) is 3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid is CN(C)C(=O)CN(C)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid?
The InChIKey is NOWMLSREJPXMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-9(2)7(11)6-10(3)16(14,15)5-4-8(12)13/h4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid?
3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid has a molecular weight of 252.29 g/mol, XLogP of -1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]propanoic acid is sourced from PubChem (CID 43375037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).