propan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate

C12H18N2O5S — CID 18288128

IUPACpropan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
SMILESCC(C)OC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C12H18N2O5S/c1-9(2)19-12(16)8-14-7-10(5-6-11(14)15)20(17,18)13(3)4/h5-7,9H,8H2,1-4H3
InChIKeySJJKRHXEJKIFEM-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.05
Rot. Bonds5

About propan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate

propan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate (PubChem CID 18288128) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is propan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
PubChem CID18288128
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Namepropan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate
SMILESCC(C)OC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C12H18N2O5S/c1-9(2)19-12(16)8-14-7-10(5-6-11(14)15)20(17,18)13(3)4/h5-7,9H,8H2,1-4H3
InChIKeySJJKRHXEJKIFEM-UHFFFAOYSA-N
XLogP0.05
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The IUPAC name of propan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate (CID 18288128) is propan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for propan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for propan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate is CC(C)OC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O.
What is the InChIKey of propan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
The InChIKey is SJJKRHXEJKIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-9(2)19-12(16)8-14-7-10(5-6-11(14)15)20(17,18)13(3)4/h5-7,9H,8H2,1-4H3.
What are the key properties of propan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate?
propan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate has a molecular weight of 302.35 g/mol, XLogP of 0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 18288128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).