methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate

C11H16N2O5S — CID 61460467

IUPACmethyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C11H16N2O5S/c1-13-8-9(5-6-10(13)14)12-19(16,17)7-3-4-11(15)18-2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyVMWXLXDEPRYWPB-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.08
Rot. Bonds6

About methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate

methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate (PubChem CID 61460467) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate
PubChem CID61460467
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Namemethyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C11H16N2O5S/c1-13-8-9(5-6-10(13)14)12-19(16,17)7-3-4-11(15)18-2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyVMWXLXDEPRYWPB-UHFFFAOYSA-N
XLogP0.08
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate
CID 61460257
methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate
CID 61460718
methyl 4-[(4-methylsulfanylphenyl)sulfamoyl]butanoate
CID 61460482
methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate
CID 61457309
methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
CID 61457533
methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate
CID 61460334
methyl 4-(1,3-benzodioxol-5-ylsulfamoyl)butanoate
CID 61460557
2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339625
methyl 4-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]butanoate
CID 61460424
methyl 4-[(3-sulfamoylphenyl)sulfamoyl]butanoate
CID 61457458
methyl 4-[(3-formylphenyl)sulfamoyl]butanoate
CID 106913005
methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate
CID 61460236

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate (CID 61460467) is methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)Nc1ccc(=O)n(C)c1.
What is the InChIKey of methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate?
The InChIKey is VMWXLXDEPRYWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-13-8-9(5-6-10(13)14)12-19(16,17)7-3-4-11(15)18-2/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate?
methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate has a molecular weight of 288.32 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate is sourced from PubChem (CID 61460467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).