ethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate

C10H18N2O4S — CID 54951319

IUPACethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC(C)(C#N)CC
InChIInChI=1S/C10H18N2O4S/c1-4-10(3,8-11)12-17(14,15)7-6-9(13)16-5-2/h12H,4-7H2,1-3H3
InChIKeyRSHXXKPBJDUQFR-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.55
Rot. Bonds7

About ethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate

ethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate (PubChem CID 54951319) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate
PubChem CID54951319
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Nameethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC(C)(C#N)CC
InChIInChI=1S/C10H18N2O4S/c1-4-10(3,8-11)12-17(14,15)7-6-9(13)16-5-2/h12H,4-7H2,1-3H3
InChIKeyRSHXXKPBJDUQFR-UHFFFAOYSA-N
XLogP0.55
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate?
The IUPAC name of ethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate (CID 54951319) is ethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate.
What is the SMILES notation for ethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate?
The canonical SMILES for ethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate is CCOC(=O)CCS(=O)(=O)NC(C)(C#N)CC.
What is the InChIKey of ethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate?
The InChIKey is RSHXXKPBJDUQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-4-10(3,8-11)12-17(14,15)7-6-9(13)16-5-2/h12H,4-7H2,1-3H3.
What are the key properties of ethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate?
ethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate has a molecular weight of 262.33 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-cyanobutan-2-ylsulfamoyl)propanoate is sourced from PubChem (CID 54951319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).