3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide

C8H13FN8O3S — CID 88783562

IUPAC3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide
SMILESCN(C)S(=O)(=O)/N=C(\N)NC(=O)c1nc(F)c(N)nc1N
InChIInChI=1S/C8H13FN8O3S/c1-17(2)21(19,20)16-8(12)15-7(18)3-5(10)14-6(11)4(9)13-3/h1-2H3,(H4,10,11,14)(H3,12,15,16,18)
InChIKeyWAHHIXFVQJVDPL-UHFFFAOYSA-N
MW320.31 g/mol
LogP-2.37
Rot. Bonds3

About 3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide

3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide (PubChem CID 88783562) has the molecular formula C8H13FN8O3S and a molecular weight of 320.31 g/mol. Its IUPAC name is 3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide
PubChem CID88783562
Molecular FormulaC8H13FN8O3S
Molecular Weight320.31 g/mol
Exact Mass320.08
IUPAC Name3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide
SMILESCN(C)S(=O)(=O)/N=C(\N)NC(=O)c1nc(F)c(N)nc1N
InChIInChI=1S/C8H13FN8O3S/c1-17(2)21(19,20)16-8(12)15-7(18)3-5(10)14-6(11)4(9)13-3/h1-2H3,(H4,10,11,14)(H3,12,15,16,18)
InChIKeyWAHHIXFVQJVDPL-UHFFFAOYSA-N
XLogP-2.37
TPSA182.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide
CID 173443724
3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 173443106
3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propylamino)pyrazine-2-carboxamide
CID 173443251
3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 173443286
methyl N'-(dimethylsulfamoyl)carbamimidate
CID 23228574
3,5-diamino-N-[N'-[2-[bis[2-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]ethyl]amino]ethyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 24739919
3,5-diamino-N-[N'-[12-(1-aminoethylideneamino)dodecyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;dihydrochloride
CID 159356412
3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide;hydrobromide
CID 162336366
3,5-diamino-6-chloro-N-[N'-[4-[4-[3-(dimethylsulfamoyl)propoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 11627851
3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
CID 11625052
3,5-diamino-6-chloro-N-[(E)-N'-(4,5-dihydro-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboxamide
CID 88732522
3,5-diamino-N-[N'-[8-[2-(dimethylamino)ethoxy]-4,4,6,6-tetramethyloctyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide
CID 143018114

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide (CID 88783562) is 3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide is CN(C)S(=O)(=O)/N=C(\N)NC(=O)c1nc(F)c(N)nc1N.
What is the InChIKey of 3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide?
The InChIKey is WAHHIXFVQJVDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN8O3S/c1-17(2)21(19,20)16-8(12)15-7(18)3-5(10)14-6(11)4(9)13-3/h1-2H3,(H4,10,11,14)(H3,12,15,16,18).
What are the key properties of 3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide?
3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide has a molecular weight of 320.31 g/mol, XLogP of -2.37, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide is sourced from PubChem (CID 88783562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).