methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate

C10H18N2O5S — CID 63286662

IUPACmethyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate
SMILESCOCCN(CCC#N)S(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C10H18N2O5S/c1-9(10(13)17-3)18(14,15)12(6-4-5-11)7-8-16-2/h9H,4,6-8H2,1-3H3
InChIKeyMFVPKAOYQPIWGB-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.26
Rot. Bonds8

About methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate

methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate (PubChem CID 63286662) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate
PubChem CID63286662
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Namemethyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate
SMILESCOCCN(CCC#N)S(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C10H18N2O5S/c1-9(10(13)17-3)18(14,15)12(6-4-5-11)7-8-16-2/h9H,4,6-8H2,1-3H3
InChIKeyMFVPKAOYQPIWGB-UHFFFAOYSA-N
XLogP-0.26
TPSA96.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate (CID 63286662) is methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate is COCCN(CCC#N)S(=O)(=O)C(C)C(=O)OC.
What is the InChIKey of methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate?
The InChIKey is MFVPKAOYQPIWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-9(10(13)17-3)18(14,15)12(6-4-5-11)7-8-16-2/h9H,4,6-8H2,1-3H3.
What are the key properties of methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate?
methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate has a molecular weight of 278.33 g/mol, XLogP of -0.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]propanoate is sourced from PubChem (CID 63286662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).