cyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate

C13H17N3O5S — CID 7977615

IUPACcyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC#N)c1
InChIInChI=1S/C13H17N3O5S/c1-3-16(4-2)22(19,20)11-5-6-12(17)15(9-11)10-13(18)21-8-7-14/h5-6,9H,3-4,8,10H2,1-2H3
InChIKeyXGNFRJCMNSYURZ-UHFFFAOYSA-N
MW327.36 g/mol
LogP-0.05
Rot. Bonds7

About cyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate

cyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate (PubChem CID 7977615) has the molecular formula C13H17N3O5S and a molecular weight of 327.36 g/mol. Its IUPAC name is cyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Namecyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
PubChem CID7977615
Molecular FormulaC13H17N3O5S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Namecyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC#N)c1
InChIInChI=1S/C13H17N3O5S/c1-3-16(4-2)22(19,20)11-5-6-12(17)15(9-11)10-13(18)21-8-7-14/h5-6,9H,3-4,8,10H2,1-2H3
InChIKeyXGNFRJCMNSYURZ-UHFFFAOYSA-N
XLogP-0.05
TPSA109.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The IUPAC name of cyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate (CID 7977615) is cyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for cyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for cyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate is CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC#N)c1.
What is the InChIKey of cyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The InChIKey is XGNFRJCMNSYURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S/c1-3-16(4-2)22(19,20)11-5-6-12(17)15(9-11)10-13(18)21-8-7-14/h5-6,9H,3-4,8,10H2,1-2H3.
What are the key properties of cyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
cyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate has a molecular weight of 327.36 g/mol, XLogP of -0.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 7977615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).