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

C11H19ClN8O3S — CID 173443251

IUPAC3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC(N)=NS(=O)(=O)N(C)C)nc1Cl
InChIInChI=1S/C11H19ClN8O3S/c1-4-5-15-9-7(12)16-6(8(13)17-9)10(21)18-11(14)19-24(22,23)20(2)3/h4-5H2,1-3H3,(H3,13,15,17)(H3,14,18,19,21)
InChIKeyVSVSINVPEDVANI-UHFFFAOYSA-N
MW378.85 g/mol
LogP-0.62
Rot. Bonds6

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

3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 173443251) has the molecular formula C11H19ClN8O3S and a molecular weight of 378.85 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propylamino)pyrazine-2-carboxamide
PubChem CID173443251
Molecular FormulaC11H19ClN8O3S
Molecular Weight378.85 g/mol
Exact Mass378.10
IUPAC Name3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC(N)=NS(=O)(=O)N(C)C)nc1Cl
InChIInChI=1S/C11H19ClN8O3S/c1-4-5-15-9-7(12)16-6(8(13)17-9)10(21)18-11(14)19-24(22,23)20(2)3/h4-5H2,1-3H3,(H3,13,15,17)(H3,14,18,19,21)
InChIKeyVSVSINVPEDVANI-UHFFFAOYSA-N
XLogP-0.62
TPSA168.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.85
LogP ≤ 5-0.62
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-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propylamino)pyrazine-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-piperidin-1-ylpyrazine-2-carboxamide
CID 173443286
3,5-diamino-N-[(E)-N'-(dimethylsulfamoyl)carbamimidoyl]-6-fluoropyrazine-2-carboxamide
CID 88783562
3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide
CID 130008687
3,5-diamino-N-[N'-[4-[[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]butylamino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 24737832
3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
CID 11625052
ethyl N-[N-[3-amino-6-chloro-5-(ethylamino)pyrazine-2-carbonyl]carbamimidoyl]carbamate
CID 173443331
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
ethyl N-[[[3-amino-6-chloro-5-(methylamino)pyrazine-2-carbonyl]amino]-(ethoxycarbonylamino)methylidene]carbamate
CID 54258938
3-amino-6-chloro-N'-ethyl-5-(hydroxymethylamino)pyrazine-2-carboximidamide
CID 158277317
3-[[6-amino-3-chloro-5-(diaminomethylidenecarbamoyl)pyrazin-2-yl]amino]propanoic acid;hydrochloride
CID 57396266

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propylamino)pyrazine-2-carboxamide (CID 173443251) is 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propylamino)pyrazine-2-carboxamide is CCCNc1nc(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-(propylamino)pyrazine-2-carboxamide?
The InChIKey is VSVSINVPEDVANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN8O3S/c1-4-5-15-9-7(12)16-6(8(13)17-9)10(21)18-11(14)19-24(22,23)20(2)3/h4-5H2,1-3H3,(H3,13,15,17)(H3,14,18,19,21).
What are the key properties of 3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propylamino)pyrazine-2-carboxamide?
3-amino-6-chloro-N-[N'-(dimethylsulfamoyl)carbamimidoyl]-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 378.85 g/mol, XLogP of -0.62, 6 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-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 173443251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).