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

C8H16N2O5S — CID 43310947

IUPAC4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid
SMILESCN(C)C(=O)CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-10(2)7(11)6-9-16(14,15)5-3-4-8(12)13/h9H,3-6H2,1-2H3,(H,12,13)
InChIKeyCVYVUBFVHVTXBP-UHFFFAOYSA-N
MW252.29 g/mol
LogP-1.14
Rot. Bonds7

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

4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid (PubChem CID 43310947) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid
PubChem CID43310947
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid
SMILESCN(C)C(=O)CNS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C8H16N2O5S/c1-10(2)7(11)6-9-16(14,15)5-3-4-8(12)13/h9H,3-6H2,1-2H3,(H,12,13)
InChIKeyCVYVUBFVHVTXBP-UHFFFAOYSA-N
XLogP-1.14
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(Dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60950229
3-[2-(Dimethylamino)ethylsulfamoyl]propanoic acid
CID 28773454
(2S)-4-(4-acetylpiperazin-1-yl)sulfonyl-2-aminobutanoic acid
CID 67154291
4-(4-Acetylpiperazin-1-yl)sulfonyl-2-aminobutanoic acid
CID 70945570
(2S)-2-amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid
CID 87289705
2-Amino-4-[2-(dimethylamino)ethylsulfamoyl]butanoic acid
CID 87289706
(2S)-2-amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid
CID 87289711
(2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid
CID 89124099
2-Amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid
CID 89124102
(2S)-4-(2-acetamidoethylsulfamoyl)-2-aminobutanoic acid
CID 89124138
4-(2-Acetamidoethylsulfamoyl)-2-aminobutanoic acid
CID 89124139
2-Amino-4-[2-(dimethylamino)ethyl-methylsulfamoyl]butanoic acid
CID 89124296

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid (CID 43310947) is 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid is CN(C)C(=O)CNS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid?
The InChIKey is CVYVUBFVHVTXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-10(2)7(11)6-9-16(14,15)5-3-4-8(12)13/h9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid?
4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid has a molecular weight of 252.29 g/mol, XLogP of -1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 43310947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).