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

C13H20N2O5S — CID 61460257

IUPACmethyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate
SMILESCCCn1cc(NS(=O)(=O)CCCC(=O)OC)ccc1=O
InChIInChI=1S/C13H20N2O5S/c1-3-8-15-10-11(6-7-12(15)16)14-21(18,19)9-4-5-13(17)20-2/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeyYOVDWLNBQCWPDL-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.95
Rot. Bonds8

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

methyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate (PubChem CID 61460257) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is methyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate
PubChem CID61460257
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Namemethyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate
SMILESCCCn1cc(NS(=O)(=O)CCCC(=O)OC)ccc1=O
InChIInChI=1S/C13H20N2O5S/c1-3-8-15-10-11(6-7-12(15)16)14-21(18,19)9-4-5-13(17)20-2/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeyYOVDWLNBQCWPDL-UHFFFAOYSA-N
XLogP0.95
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate
CID 61460467
2-chloro-N-(6-oxo-1-propyl-3-pyridinyl)ethanesulfonamide
CID 107651563
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide
CID 54877695
methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate
CID 61460718
methyl 4-[(4-methylsulfanylphenyl)sulfamoyl]butanoate
CID 61460482
2-[[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]sulfamoyl]acetic acid
CID 43716376
2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide
CID 107651560
2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid
CID 60932761
1-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]methanesulfonamide
CID 83085235
methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate
CID 61457309
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037
6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
CID 60933349

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate (CID 61460257) is methyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate is CCCn1cc(NS(=O)(=O)CCCC(=O)OC)ccc1=O.
What is the InChIKey of methyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate?
The InChIKey is YOVDWLNBQCWPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-3-8-15-10-11(6-7-12(15)16)14-21(18,19)9-4-5-13(17)20-2/h6-7,10,14H,3-5,8-9H2,1-2H3.
What are the key properties of methyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate?
methyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate has a molecular weight of 316.38 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-oxo-1-propyl-3-pyridinyl)sulfamoyl]butanoate is sourced from PubChem (CID 61460257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).