ethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate

C10H18N2O4S — CID 54996981

IUPACethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N(CCC#N)C(C)C
InChIInChI=1S/C10H18N2O4S/c1-4-16-10(13)8-17(14,15)12(9(2)3)7-5-6-11/h9H,4-5,7-8H2,1-3H3
InChIKeyJCTUUEGXXOQSLA-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.50
Rot. Bonds7

About ethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate

ethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate (PubChem CID 54996981) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate
PubChem CID54996981
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Nameethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)N(CCC#N)C(C)C
InChIInChI=1S/C10H18N2O4S/c1-4-16-10(13)8-17(14,15)12(9(2)3)7-5-6-11/h9H,4-5,7-8H2,1-3H3
InChIKeyJCTUUEGXXOQSLA-UHFFFAOYSA-N
XLogP0.50
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate (CID 54996981) is ethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)N(CCC#N)C(C)C.
What is the InChIKey of ethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate?
The InChIKey is JCTUUEGXXOQSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-4-16-10(13)8-17(14,15)12(9(2)3)7-5-6-11/h9H,4-5,7-8H2,1-3H3.
What are the key properties of ethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate?
ethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate has a molecular weight of 262.33 g/mol, XLogP of 0.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-cyanoethyl(propan-2-yl)sulfamoyl]acetate is sourced from PubChem (CID 54996981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).