ethyl 4-sulfamoylbutanoate

C6H13NO4S — CID 61374945

IUPACethyl 4-sulfamoylbutanoate
SMILESCCOC(=O)CCCS(N)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-2-11-6(8)4-3-5-12(7,9)10/h2-5H2,1H3,(H2,7,9,10)
InChIKeyMHLNHKAXGOHWLC-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.38
Rot. Bonds5

About ethyl 4-sulfamoylbutanoate

ethyl 4-sulfamoylbutanoate (PubChem CID 61374945) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is ethyl 4-sulfamoylbutanoate.

Molecular Properties

Compound Nameethyl 4-sulfamoylbutanoate
PubChem CID61374945
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Nameethyl 4-sulfamoylbutanoate
SMILESCCOC(=O)CCCS(N)(=O)=O
InChIInChI=1S/C6H13NO4S/c1-2-11-6(8)4-3-5-12(7,9)10/h2-5H2,1H3,(H2,7,9,10)
InChIKeyMHLNHKAXGOHWLC-UHFFFAOYSA-N
XLogP-0.38
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-4-oxobutane-1-sulfonic acid
CID 87764562
diethyl hexanedioate
CID 160747628
diethyl icosanedioate
CID 5058538
sodium 5-ethoxy-5-oxopentane-1-sulfonate
CID 23703548
ethyl 3-methylsulfonylpropanoate
CID 58565961
(6-ethoxy-6-oxohexyl)-dimethylazanium
CID 20571658
ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate
CID 61457286
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl 3-butylsulfonylpropanoate
CID 42647324
ethyl undecanoate
CID 12327
ethyl hexanoate;gadolinium
CID 174444534
ethyl hexanoate;gallane
CID 174708288

Frequently Asked Questions

What is the IUPAC name of ethyl 4-sulfamoylbutanoate?
The IUPAC name of ethyl 4-sulfamoylbutanoate (CID 61374945) is ethyl 4-sulfamoylbutanoate.
What is the SMILES notation for ethyl 4-sulfamoylbutanoate?
The canonical SMILES for ethyl 4-sulfamoylbutanoate is CCOC(=O)CCCS(N)(=O)=O.
What is the InChIKey of ethyl 4-sulfamoylbutanoate?
The InChIKey is MHLNHKAXGOHWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-2-11-6(8)4-3-5-12(7,9)10/h2-5H2,1H3,(H2,7,9,10).
What are the key properties of ethyl 4-sulfamoylbutanoate?
ethyl 4-sulfamoylbutanoate has a molecular weight of 195.24 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-sulfamoylbutanoate is sourced from PubChem (CID 61374945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).