3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide

C9H15ClN8O3S — CID 173443724

IUPAC3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1nc(N)c(C(=O)NC(N)=NS(=O)(=O)N(C)C)nc1Cl
InChIInChI=1S/C9H15ClN8O3S/c1-13-7-5(10)14-4(6(11)15-7)8(19)16-9(12)17-22(20,21)18(2)3/h1-3H3,(H3,11,13,15)(H3,12,16,17,19)
InChIKeyWCLICRCDMLUACK-UHFFFAOYSA-N
MW350.79 g/mol
LogP-1.40
Rot. Bonds4

About 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide

3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide (PubChem CID 173443724) has the molecular formula C9H15ClN8O3S and a molecular weight of 350.79 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide
PubChem CID173443724
Molecular FormulaC9H15ClN8O3S
Molecular Weight350.79 g/mol
Exact Mass350.07
IUPAC Name3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1nc(N)c(C(=O)NC(N)=NS(=O)(=O)N(C)C)nc1Cl
InChIInChI=1S/C9H15ClN8O3S/c1-13-7-5(10)14-4(6(11)15-7)8(19)16-9(12)17-22(20,21)18(2)3/h1-3H3,(H3,11,13,15)(H3,12,16,17,19)
InChIKeyWCLICRCDMLUACK-UHFFFAOYSA-N
XLogP-1.40
TPSA168.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.79
LogP ≤ 5-1.40
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'}

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Related Compounds

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
3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide
CID 88783562
ethyl N-[[[3-amino-6-chloro-5-(methylamino)pyrazine-2-carbonyl]amino]-(ethoxycarbonylamino)methylidene]carbamate
CID 54258938
3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide
CID 88911387
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-amino-6-chloro-5-(methylamino)-N-[N'-[4-[4-(2,3,4-trihydroxybutoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 88914995
3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide
CID 130008687
3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide;hydrobromide
CID 162336366
3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
CID 11625052
3,5-diamino-N-[N'-[12-(1-aminoethylideneamino)dodecyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;dihydrochloride
CID 159356412

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide (CID 173443724) is 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide is CNc1nc(N)c(C(=O)NC(N)=NS(=O)(=O)N(C)C)nc1Cl.
What is the InChIKey of 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide?
The InChIKey is WCLICRCDMLUACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN8O3S/c1-13-7-5(10)14-4(6(11)15-7)8(19)16-9(12)17-22(20,21)18(2)3/h1-3H3,(H3,11,13,15)(H3,12,16,17,19).
What are the key properties of 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide?
3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide has a molecular weight of 350.79 g/mol, XLogP of -1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 173443724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).