4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid

C10H20N2O5S — CID 43588557

IUPAC4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H20N2O5S/c1-4-12(8-9(13)11(2)3)18(16,17)7-5-6-10(14)15/h4-8H2,1-3H3,(H,14,15)
InChIKeyPBBUVFHIYYIAMF-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.41
Rot. Bonds8

About 4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid

4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid (PubChem CID 43588557) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid
PubChem CID43588557
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H20N2O5S/c1-4-12(8-9(13)11(2)3)18(16,17)7-5-6-10(14)15/h4-8H2,1-3H3,(H,14,15)
InChIKeyPBBUVFHIYYIAMF-UHFFFAOYSA-N
XLogP-0.41
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid (CID 43588557) is 4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid is CCN(CC(=O)N(C)C)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid?
The InChIKey is PBBUVFHIYYIAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-4-12(8-9(13)11(2)3)18(16,17)7-5-6-10(14)15/h4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid?
4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid has a molecular weight of 280.35 g/mol, XLogP of -0.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]butanoic acid is sourced from PubChem (CID 43588557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).