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

C9H18N2O5S — CID 43375036

IUPAC4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid
SMILESCN(C)C(=O)CN(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H18N2O5S/c1-10(2)8(12)7-11(3)17(15,16)6-4-5-9(13)14/h4-7H2,1-3H3,(H,13,14)
InChIKeyRJLWUYRBWUAZQG-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.80
Rot. Bonds7

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

4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid (PubChem CID 43375036) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid
PubChem CID43375036
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid
SMILESCN(C)C(=O)CN(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H18N2O5S/c1-10(2)8(12)7-11(3)17(15,16)6-4-5-9(13)14/h4-7H2,1-3H3,(H,13,14)
InChIKeyRJLWUYRBWUAZQG-UHFFFAOYSA-N
XLogP-0.80
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.80
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]-methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid (CID 43375036) is 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid is CN(C)C(=O)CN(C)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid?
The InChIKey is RJLWUYRBWUAZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-10(2)8(12)7-11(3)17(15,16)6-4-5-9(13)14/h4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid?
4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]butanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.80, 7 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]-methylsulfamoyl]butanoic acid is sourced from PubChem (CID 43375036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).