ethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate

C10H18N2O4S — CID 54990536

IUPACethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)N(C)CC(C)C#N
InChIInChI=1S/C10H18N2O4S/c1-4-16-10(13)5-6-17(14,15)12(3)8-9(2)7-11/h9H,4-6,8H2,1-3H3
InChIKeyHBWYXMAXHFLLCE-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.36
Rot. Bonds7

About ethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate

ethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate (PubChem CID 54990536) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate
PubChem CID54990536
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Nameethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)N(C)CC(C)C#N
InChIInChI=1S/C10H18N2O4S/c1-4-16-10(13)5-6-17(14,15)12(3)8-9(2)7-11/h9H,4-6,8H2,1-3H3
InChIKeyHBWYXMAXHFLLCE-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate (CID 54990536) is ethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)N(C)CC(C)C#N.
What is the InChIKey of ethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate?
The InChIKey is HBWYXMAXHFLLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-4-16-10(13)5-6-17(14,15)12(3)8-9(2)7-11/h9H,4-6,8H2,1-3H3.
What are the key properties of ethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate?
ethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate has a molecular weight of 262.33 g/mol, XLogP of 0.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-cyanopropyl(methyl)sulfamoyl]propanoate is sourced from PubChem (CID 54990536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).