4-[ethylsulfonyl(methyl)amino]butanoic acid

C7H15NO4S — CID 39242294

IUPAC4-[ethylsulfonyl(methyl)amino]butanoic acid
SMILESCCS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C7H15NO4S/c1-3-13(11,12)8(2)6-4-5-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyMIJPGRNNMNJMTA-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.13
Rot. Bonds6

About 4-[ethylsulfonyl(methyl)amino]butanoic acid

4-[ethylsulfonyl(methyl)amino]butanoic acid (PubChem CID 39242294) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-[ethylsulfonyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[ethylsulfonyl(methyl)amino]butanoic acid
PubChem CID39242294
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name4-[ethylsulfonyl(methyl)amino]butanoic acid
SMILESCCS(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C7H15NO4S/c1-3-13(11,12)8(2)6-4-5-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyMIJPGRNNMNJMTA-UHFFFAOYSA-N
XLogP0.13
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1,1-dioxo-1,2-thiazolidine-5-carboxylic acid
CID 121582537
4-[Difluoromethylsulfonyl(methyl)amino]butanoic acid
CID 43151883
4-[Methyl(4,4,4-trifluorobutylsulfonyl)amino]butanoic acid
CID 83068099
2-Isothiazolidinebutanoic acid, 1,1-dioxide
CID 24688850
4-(Dipropylsulfamoyl)butanoic acid
CID 28513702
3-[Butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
4-[Methyl(methylsulfonyl)amino]butanoic acid
CID 39239437
3-((3-Carboxypropyl)dimethylammonio)propane-1-sulfonate
CID 56969966
3-Carboxypropyl-dimethyl-(3-sulfopropyl)azanium
CID 56969967
4-(Propan-2-ylsulfonylamino)butanoic acid
CID 60858637
2-[Butyl(ethyl)sulfamoyl]propanoic acid
CID 61454716
3-Carboxypropyl-dimethyl-(2-sulfoethyl)azanium
CID 89434832

Frequently Asked Questions

What is the IUPAC name of 4-[ethylsulfonyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[ethylsulfonyl(methyl)amino]butanoic acid (CID 39242294) is 4-[ethylsulfonyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[ethylsulfonyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[ethylsulfonyl(methyl)amino]butanoic acid is CCS(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[ethylsulfonyl(methyl)amino]butanoic acid?
The InChIKey is MIJPGRNNMNJMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-3-13(11,12)8(2)6-4-5-7(9)10/h3-6H2,1-2H3,(H,9,10).
What are the key properties of 4-[ethylsulfonyl(methyl)amino]butanoic acid?
4-[ethylsulfonyl(methyl)amino]butanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethylsulfonyl(methyl)amino]butanoic acid is sourced from PubChem (CID 39242294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).