ethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate

C12H18N2O5S — CID 70033053

IUPACethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(C)C)cnc1OCC
InChIInChI=1S/C12H18N2O5S/c1-5-18-11-10(12(15)19-6-2)7-9(8-13-11)20(16,17)14(3)4/h7-8H,5-6H2,1-4H3
InChIKeyQWWFWRFAMXDHBA-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.91
Rot. Bonds6

About ethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate

ethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate (PubChem CID 70033053) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is ethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate
PubChem CID70033053
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Nameethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(C)C)cnc1OCC
InChIInChI=1S/C12H18N2O5S/c1-5-18-11-10(12(15)19-6-2)7-9(8-13-11)20(16,17)14(3)4/h7-8H,5-6H2,1-4H3
InChIKeyQWWFWRFAMXDHBA-UHFFFAOYSA-N
XLogP0.91
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate?
The IUPAC name of ethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate (CID 70033053) is ethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate is CCOC(=O)c1cc(S(=O)(=O)N(C)C)cnc1OCC.
What is the InChIKey of ethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate?
The InChIKey is QWWFWRFAMXDHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-5-18-11-10(12(15)19-6-2)7-9(8-13-11)20(16,17)14(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of ethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate?
ethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate has a molecular weight of 302.35 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylsulfamoyl)-2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 70033053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).