ethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate

C10H18N2O4S — CID 54992427

IUPACethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)N(CC)CCC#N
InChIInChI=1S/C10H18N2O4S/c1-3-12(8-5-7-11)17(14,15)9-6-10(13)16-4-2/h3-6,8-9H2,1-2H3
InChIKeyBIAZDOAOMZFQFE-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.50
Rot. Bonds8

About ethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate

ethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate (PubChem CID 54992427) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate
PubChem CID54992427
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Nameethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)N(CC)CCC#N
InChIInChI=1S/C10H18N2O4S/c1-3-12(8-5-7-11)17(14,15)9-6-10(13)16-4-2/h3-6,8-9H2,1-2H3
InChIKeyBIAZDOAOMZFQFE-UHFFFAOYSA-N
XLogP0.50
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-(diethylsulfamoyl)propanoate
CID 11775769
Propyl 3-(dipropylsulfamoyl)propanoate
CID 90858425
Propyl 3-(dipropylsulfamoyl)propanoate;hydrochloride
CID 141091385
Ethyl 3-[methyl(2-sulfamoylethyl)amino]propanoate
CID 167520487
Butyl 3-[methyl(2-sulfamoylethyl)amino]propanoate
CID 176788230
Methyl 3-(1-oxa-5-azacyclonon-7-yn-5-ylsulfonyl)propanoate
CID 178658288
Ethyl 2-(diethylsulfamoyl)acetate
CID 33737241
Ethyl 3-(diethylsulfamoyl)propanoate
CID 33737399
Ethyl 3-pyrrolidin-1-ylsulfonylpropanoate
CID 33737420
Methyl 3-[(2-ethoxy-2-oxoethyl)sulfonyl-ethylamino]propanoate
CID 54951956
Methyl 4-[bis(cyanomethyl)sulfamoyl]butanoate
CID 54952119
Methyl 4-[2-cyanoethyl(propan-2-yl)sulfamoyl]butanoate
CID 54952227

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate (CID 54992427) is ethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)N(CC)CCC#N.
What is the InChIKey of ethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate?
The InChIKey is BIAZDOAOMZFQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-3-12(8-5-7-11)17(14,15)9-6-10(13)16-4-2/h3-6,8-9H2,1-2H3.
What are the key properties of ethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate?
ethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate has a molecular weight of 262.33 g/mol, XLogP of 0.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-cyanoethyl(ethyl)sulfamoyl]propanoate is sourced from PubChem (CID 54992427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).