About 6-(2-amino-3-pyridinyl)-N'-hydrazinyl-3-(3-hydroxypropylamino)sulfanyl-2-sulfamoylbenzenecarboximidamide
6-(2-amino-3-pyridinyl)-N'-hydrazinyl-3-(3-hydroxypropylamino)sulfanyl-2-sulfamoylbenzenecarboximidamide (PubChem CID 145219754) has the molecular formula C15H22N8O3S2
and a molecular weight of 426.53 g/mol. Its IUPAC name is 6-(2-amino-3-pyridinyl)-N'-hydrazinyl-3-(3-hydroxypropylamino)sulfanyl-2-sulfamoylbenzenecarboximidamide.
Molecular Properties
| Compound Name | 6-(2-amino-3-pyridinyl)-N'-hydrazinyl-3-(3-hydroxypropylamino)sulfanyl-2-sulfamoylbenzenecarboximidamide |
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| PubChem CID | 145219754 |
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| Molecular Formula | C15H22N8O3S2 |
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| Molecular Weight | 426.53 g/mol |
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| Exact Mass | 426.13 |
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| IUPAC Name | 6-(2-amino-3-pyridinyl)-N'-hydrazinyl-3-(3-hydroxypropylamino)sulfanyl-2-sulfamoylbenzenecarboximidamide |
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| SMILES | NN/N=C(\N)c1c(-c2cccnc2N)ccc(SNCCCO)c1S(N)(=O)=O |
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| InChI | InChI=1S/C15H22N8O3S2/c16-14-10(3-1-6-20-14)9-4-5-11(27-21-7-2-8-24)13(28(19,25)26)12(9)15(17)22-23-18/h1,3-6,21,23-24H,2,7-8,18H2,(H2,16,20)(H2,17,22)(H2,19,25,26) |
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| InChIKey | LWLGZBBZIAQHRV-UHFFFAOYSA-N |
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| XLogP | -0.96 |
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| TPSA | 207.76 Ų |
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| H-Bond Donors | 7 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 28 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 426.53 |
| LogP ≤ 5 | -0.96 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-(2-amino-3-pyridinyl)-N'-hydrazinyl-3-(3-hydroxypropylamino)sulfanyl-2-sulfamoylbenzenecarboximidamide?
The IUPAC name of 6-(2-amino-3-pyridinyl)-N'-hydrazinyl-3-(3-hydroxypropylamino)sulfanyl-2-sulfamoylbenzenecarboximidamide (CID 145219754) is 6-(2-amino-3-pyridinyl)-N'-hydrazinyl-3-(3-hydroxypropylamino)sulfanyl-2-sulfamoylbenzenecarboximidamide.
What is the SMILES notation for 6-(2-amino-3-pyridinyl)-N'-hydrazinyl-3-(3-hydroxypropylamino)sulfanyl-2-sulfamoylbenzenecarboximidamide?
The canonical SMILES for 6-(2-amino-3-pyridinyl)-N'-hydrazinyl-3-(3-hydroxypropylamino)sulfanyl-2-sulfamoylbenzenecarboximidamide is NN/N=C(\N)c1c(-c2cccnc2N)ccc(SNCCCO)c1S(N)(=O)=O.
What is the InChIKey of 6-(2-amino-3-pyridinyl)-N'-hydrazinyl-3-(3-hydroxypropylamino)sulfanyl-2-sulfamoylbenzenecarboximidamide?
The InChIKey is LWLGZBBZIAQHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O3S2/c16-14-10(3-1-6-20-14)9-4-5-11(27-21-7-2-8-24)13(28(19,25)26)12(9)15(17)22-23-18/h1,3-6,21,23-24H,2,7-8,18H2,(H2,16,20)(H2,17,22)(H2,19,25,26).
What are the key properties of 6-(2-amino-3-pyridinyl)-N'-hydrazinyl-3-(3-hydroxypropylamino)sulfanyl-2-sulfamoylbenzenecarboximidamide?
6-(2-amino-3-pyridinyl)-N'-hydrazinyl-3-(3-hydroxypropylamino)sulfanyl-2-sulfamoylbenzenecarboximidamide has a molecular weight of 426.53 g/mol, XLogP of -0.96, 9 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-3-pyridinyl)-N'-hydrazinyl-3-(3-hydroxypropylamino)sulfanyl-2-sulfamoylbenzenecarboximidamide is sourced from PubChem (CID 145219754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).