methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate

C9H16N4O4S — CID 113433480

IUPACmethyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)Nc1[nH]ncc1C
InChIInChI=1S/C9H16N4O4S/c1-7-6-10-11-9(7)12-18(15,16)13(2)5-4-8(14)17-3/h6H,4-5H2,1-3H3,(H2,10,11,12)
InChIKeyLENBXOWNYDNWNC-UHFFFAOYSA-N
MW276.32 g/mol
LogP-0.13
Rot. Bonds6

About methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate

methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate (PubChem CID 113433480) has the molecular formula C9H16N4O4S and a molecular weight of 276.32 g/mol. Its IUPAC name is methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate
PubChem CID113433480
Molecular FormulaC9H16N4O4S
Molecular Weight276.32 g/mol
Exact Mass276.09
IUPAC Namemethyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)Nc1[nH]ncc1C
InChIInChI=1S/C9H16N4O4S/c1-7-6-10-11-9(7)12-18(15,16)13(2)5-4-8(14)17-3/h6H,4-5H2,1-3H3,(H2,10,11,12)
InChIKeyLENBXOWNYDNWNC-UHFFFAOYSA-N
XLogP-0.13
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid
CID 104617625
methyl 3-[(2,6-difluoro-3-methylphenyl)sulfamoyl-methylamino]propanoate
CID 82798709
methyl 3-[methyl-[(5-methyl-3-pyridinyl)sulfamoyl]amino]propanoate
CID 107584640
methyl 3-[(4-bromo-3,5-dimethylphenyl)sulfamoyl-methylamino]propanoate
CID 107571636
methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate
CID 113251862
methyl 3-[(3-fluoro-5-methylphenyl)sulfamoyl-methylamino]propanoate
CID 79054852
methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate
CID 66351480
methyl 3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)sulfamoyl-methylamino]propanoate
CID 104816662
methyl 3-[(4-bromo-2,3-dichlorophenyl)sulfamoyl-methylamino]propanoate
CID 107787368
methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 115631180
methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 102931590
methyl 3-[(2-bromo-4-chlorophenyl)sulfamoyl-methylamino]propanoate
CID 81264072

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate (CID 113433480) is methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate is COC(=O)CCN(C)S(=O)(=O)Nc1[nH]ncc1C.
What is the InChIKey of methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate?
The InChIKey is LENBXOWNYDNWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S/c1-7-6-10-11-9(7)12-18(15,16)13(2)5-4-8(14)17-3/h6H,4-5H2,1-3H3,(H2,10,11,12).
What are the key properties of methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate?
methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate has a molecular weight of 276.32 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoate is sourced from PubChem (CID 113433480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).