4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide

C14H16N6S2 — CID 102026982

IUPAC4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N)c(SSc2cc(/C(N)=N/[H])ccc2N)c1
InChIInChI=1S/C14H16N6S2/c15-9-3-1-7(13(17)18)5-11(9)21-22-12-6-8(14(19)20)2-4-10(12)16/h1-6H,15-16H2,(H3,17,18)(H3,19,20)
InChIKeyPPIJHTGZRQTQLX-UHFFFAOYSA-N
MW332.46 g/mol
LogP2.22
Rot. Bonds5

About 4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide

4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide (PubChem CID 102026982) has the molecular formula C14H16N6S2 and a molecular weight of 332.46 g/mol. Its IUPAC name is 4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide
PubChem CID102026982
Molecular FormulaC14H16N6S2
Molecular Weight332.46 g/mol
Exact Mass332.09
IUPAC Name4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N)c(SSc2cc(/C(N)=N/[H])ccc2N)c1
InChIInChI=1S/C14H16N6S2/c15-9-3-1-7(13(17)18)5-11(9)21-22-12-6-8(14(19)20)2-4-10(12)16/h1-6H,15-16H2,(H3,17,18)(H3,19,20)
InChIKeyPPIJHTGZRQTQLX-UHFFFAOYSA-N
XLogP2.22
TPSA151.78 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.46
LogP ≤ 52.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide 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

4-amino-3-(trifluoromethyl)benzenecarboximidamide
CID 130743439
4-aminobenzenecarboximidamide;ethane
CID 142339418
3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
CID 24846143
4-amino-3-carbamimidoylbenzoic acid
CID 155053742
3-methoxy-4-methoxysulfanylbenzenecarboximidamide
CID 142082894
6-propan-2-ylnaphthalene-2-carboximidamide
CID 138525860
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083
7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide
CID 20814090
4-(difluoromethyl)benzenecarboximidamide
CID 83854591
3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide
CID 55223593
1,2,3,4-tetrahydroisoquinoline-6-carboximidamide
CID 54411310
6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide
CID 71745309

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide?
The IUPAC name of 4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide (CID 102026982) is 4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide.
What is the SMILES notation for 4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide?
The canonical SMILES for 4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N)c(SSc2cc(/C(N)=N/[H])ccc2N)c1.
What is the InChIKey of 4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide?
The InChIKey is PPIJHTGZRQTQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S2/c15-9-3-1-7(13(17)18)5-11(9)21-22-12-6-8(14(19)20)2-4-10(12)16/h1-6H,15-16H2,(H3,17,18)(H3,19,20).
What are the key properties of 4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide?
4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide has a molecular weight of 332.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide is sourced from PubChem (CID 102026982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).