methyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate

C11H17N3O4S — CID 62845746

IUPACmethyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCc1cnc(C)cn1
InChIInChI=1S/C11H17N3O4S/c1-9-6-13-10(7-12-9)8-14-19(16,17)5-3-4-11(15)18-2/h6-7,14H,3-5,8H2,1-2H3
InChIKeyDBKOCPSXGZLGDY-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.16
Rot. Bonds7

About methyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate

methyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate (PubChem CID 62845746) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate
PubChem CID62845746
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Namemethyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCc1cnc(C)cn1
InChIInChI=1S/C11H17N3O4S/c1-9-6-13-10(7-12-9)8-14-19(16,17)5-3-4-11(15)18-2/h6-7,14H,3-5,8H2,1-2H3
InChIKeyDBKOCPSXGZLGDY-UHFFFAOYSA-N
XLogP0.16
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate?
The IUPAC name of methyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate (CID 62845746) is methyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NCc1cnc(C)cn1.
What is the InChIKey of methyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate?
The InChIKey is DBKOCPSXGZLGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-9-6-13-10(7-12-9)8-14-19(16,17)5-3-4-11(15)18-2/h6-7,14H,3-5,8H2,1-2H3.
What are the key properties of methyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate?
methyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate has a molecular weight of 287.34 g/mol, XLogP of 0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-methylpyrazin-2-yl)methylsulfamoyl]butanoate is sourced from PubChem (CID 62845746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).