methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate

C11H17N3O4S — CID 107584640

IUPACmethyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)Nc1cncc(C)c1
InChIInChI=1S/C11H17N3O4S/c1-9-6-10(8-12-7-9)13-19(16,17)14(2)5-4-11(15)18-3/h6-8,13H,4-5H2,1-3H3
InChIKeyOVVMNMMAWSOELI-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.54
Rot. Bonds6

About methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate

methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate (PubChem CID 107584640) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate
PubChem CID107584640
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Namemethyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)Nc1cncc(C)c1
InChIInChI=1S/C11H17N3O4S/c1-9-6-10(8-12-7-9)13-19(16,17)14(2)5-4-11(15)18-3/h6-8,13H,4-5H2,1-3H3
InChIKeyOVVMNMMAWSOELI-UHFFFAOYSA-N
XLogP0.54
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-fluoro-5-methylphenyl)sulfamoyl-methylamino]propanoate
CID 79054852
methyl 3-[(4-bromo-3,5-dimethylphenyl)sulfamoyl-methylamino]propanoate
CID 107571636
methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate
CID 113433480
methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate
CID 66351480
3-[methyl(pyrimidin-5-ylsulfamoyl)amino]propanoic acid
CID 107587564
2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
CID 107584611
2-(dimethylamino)-N-(5-methyl-3-pyridinyl)ethanesulfonamide;ethane
CID 145106836
methyl 3-[(2-bromo-4-chlorophenyl)sulfamoyl-methylamino]propanoate
CID 81264072
methyl 3-[(2,6-difluoro-3-methylphenyl)sulfamoyl-methylamino]propanoate
CID 82798709
methyl 3-[(4-bromo-2,3-dichlorophenyl)sulfamoyl-methylamino]propanoate
CID 107787368
methyl 3-[methyl-[[3-(4-methylphenyl)-2-oxochromen-6-yl]sulfamoyl]amino]propanoate
CID 177149626
methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate
CID 113251862

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate (CID 107584640) is methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate is COC(=O)CCN(C)S(=O)(=O)Nc1cncc(C)c1.
What is the InChIKey of methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate?
The InChIKey is OVVMNMMAWSOELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-9-6-10(8-12-7-9)13-19(16,17)14(2)5-4-11(15)18-3/h6-8,13H,4-5H2,1-3H3.
What are the key properties of methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate?
methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate has a molecular weight of 287.34 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate is sourced from PubChem (CID 107584640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).