ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate

C10H11N3O4S — CID 55063325

IUPACethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C10H11N3O4S/c1-2-17-10(14)7-18(15,16)13-9-4-3-8(5-11)6-12-9/h3-4,6H,2,7H2,1H3,(H,12,13)
InChIKeyRYGZTOTZYHPKRC-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.26
Rot. Bonds5

About ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate

ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate (PubChem CID 55063325) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate
PubChem CID55063325
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Nameethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C10H11N3O4S/c1-2-17-10(14)7-18(15,16)13-9-4-3-8(5-11)6-12-9/h3-4,6H,2,7H2,1H3,(H,12,13)
InChIKeyRYGZTOTZYHPKRC-UHFFFAOYSA-N
XLogP0.26
TPSA109.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61456601
ethyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133363432
1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 29041806
N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide
CID 63687678
ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate
CID 116798767
ethyl 2-[(4-amino-2-cyanophenyl)sulfamoyl]acetate
CID 61456595
N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 62354753
6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63642577
3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64528667
ethyl 2-[(6-fluoro-2-pyridinyl)sulfamoyl]acetate
CID 104821537
1-(1-cyanocyclopentyl)-N-(5-cyano-2-pyridinyl)methanesulfonamide
CID 75458416
ethyl 3-[(5-cyano-2-pyridinyl)amino]-2-phenylpropanoate
CID 133323508

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate (CID 55063325) is ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate?
The InChIKey is RYGZTOTZYHPKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-2-17-10(14)7-18(15,16)13-9-4-3-8(5-11)6-12-9/h3-4,6H,2,7H2,1H3,(H,12,13).
What are the key properties of ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate?
ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate has a molecular weight of 269.28 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate is sourced from PubChem (CID 55063325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).