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

C10H11N3O4S — CID 104571391

IUPACethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate
SMILESCCOC(=O)C(C#N)c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C10H11N3O4S/c1-2-17-10(14)8(5-11)9-4-3-7(6-13-9)18(12,15)16/h3-4,6,8H,2H2,1H3,(H2,12,15,16)
InChIKeyVEFIHHPIUBDXSS-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.10
Rot. Bonds4

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

ethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate (PubChem CID 104571391) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is ethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate
PubChem CID104571391
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Nameethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate
SMILESCCOC(=O)C(C#N)c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C10H11N3O4S/c1-2-17-10(14)8(5-11)9-4-3-7(6-13-9)18(12,15)16/h3-4,6,8H,2H2,1H3,(H2,12,15,16)
InChIKeyVEFIHHPIUBDXSS-UHFFFAOYSA-N
XLogP-0.10
TPSA123.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)acetate
CID 104571398
6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide
CID 63214990
ethyl 2-cyano-2-[4-(trifluoromethylsulfonyl)phenyl]acetate
CID 104571409
ethyl 2-cyano-2-[(4-sulfamoylphenyl)diazenyl]acetate
CID 170922609
6-(3-bromopentan-2-yl)pyridine-3-sulfonamide
CID 63559497
ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate
CID 118104999
ethyl (2S)-2-cyano-2-(4-methylphenyl)acetate
CID 13004220
tert-butyl 2-cyano-2-(5-ethylsulfanyl-2-pyridinyl)acetate
CID 122704027
ethyl (2S)-2-cyano-2-pyridin-3-ylacetate
CID 86324961
ethyl 2-cyano-2-[4-(cyclopropylsulfamoyl)phenyl]acetate
CID 104571450
methyl 5-(1-cyano-2-ethoxy-2-oxoethyl)-3-ethylsulfanylpyridine-2-carboxylate
CID 134466850
tert-butyl (2S)-2-cyano-2-(5-nitro-2-pyridinyl)acetate
CID 86314184

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate (CID 104571391) is ethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate is CCOC(=O)C(C#N)c1ccc(S(N)(=O)=O)cn1.
What is the InChIKey of ethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate?
The InChIKey is VEFIHHPIUBDXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-2-17-10(14)8(5-11)9-4-3-7(6-13-9)18(12,15)16/h3-4,6,8H,2H2,1H3,(H2,12,15,16).
What are the key properties of ethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate?
ethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate has a molecular weight of 269.28 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate is sourced from PubChem (CID 104571391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).