5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide

C9H15N5O3S — CID 114175973

IUPAC5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NCCS(=O)(=O)NC)cn1
InChIInChI=1S/C9H15N5O3S/c1-10-8-6-13-7(5-14-8)9(15)12-3-4-18(16,17)11-2/h5-6,11H,3-4H2,1-2H3,(H,10,14)(H,12,15)
InChIKeySOCAKZRVYJJQNG-UHFFFAOYSA-N
MW273.32 g/mol
LogP-1.20
Rot. Bonds6

About 5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide

5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide (PubChem CID 114175973) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide
PubChem CID114175973
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NCCS(=O)(=O)NC)cn1
InChIInChI=1S/C9H15N5O3S/c1-10-8-6-13-7(5-14-8)9(15)12-3-4-18(16,17)11-2/h5-6,11H,3-4H2,1-2H3,(H,10,14)(H,12,15)
InChIKeySOCAKZRVYJJQNG-UHFFFAOYSA-N
XLogP-1.20
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide (CID 114175973) is 5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide is CNc1cnc(C(=O)NCCS(=O)(=O)NC)cn1.
What is the InChIKey of 5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is SOCAKZRVYJJQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c1-10-8-6-13-7(5-14-8)9(15)12-3-4-18(16,17)11-2/h5-6,11H,3-4H2,1-2H3,(H,10,14)(H,12,15).
What are the key properties of 5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide?
5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 273.32 g/mol, XLogP of -1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 114175973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).