4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid

C11H22N2O5S — CID 54876258

IUPAC4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H22N2O5S/c1-4-13(5-2)10(14)9-12(3)19(17,18)8-6-7-11(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeySLBKTOVGBNHHJP-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.02
Rot. Bonds9

About 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid

4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid (PubChem CID 54876258) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid
PubChem CID54876258
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H22N2O5S/c1-4-13(5-2)10(14)9-12(3)19(17,18)8-6-7-11(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeySLBKTOVGBNHHJP-UHFFFAOYSA-N
XLogP-0.02
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid (CID 54876258) is 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid is CCN(CC)C(=O)CN(C)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid?
The InChIKey is SLBKTOVGBNHHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-4-13(5-2)10(14)9-12(3)19(17,18)8-6-7-11(15)16/h4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid?
4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid has a molecular weight of 294.37 g/mol, XLogP of -0.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid is sourced from PubChem (CID 54876258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).