N'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide

C12H12N4OS — CID 144885074

IUPACN'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide
SMILESN/C(=N\O)c1ccnc(NSc2ccccc2)c1
InChIInChI=1S/C12H12N4OS/c13-12(15-17)9-6-7-14-11(8-9)16-18-10-4-2-1-3-5-10/h1-8,17H,(H2,13,15)(H,14,16)
InChIKeyXFNPDIKPMJBGSR-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.30
Rot. Bonds4

About N'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide

N'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide (PubChem CID 144885074) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is N'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide
PubChem CID144885074
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC NameN'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide
SMILESN/C(=N\O)c1ccnc(NSc2ccccc2)c1
InChIInChI=1S/C12H12N4OS/c13-12(15-17)9-6-7-14-11(8-9)16-18-10-4-2-1-3-5-10/h1-8,17H,(H2,13,15)(H,14,16)
InChIKeyXFNPDIKPMJBGSR-UHFFFAOYSA-N
XLogP2.30
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide (CID 144885074) is N'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide is N/C(=N\O)c1ccnc(NSc2ccccc2)c1.
What is the InChIKey of N'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide?
The InChIKey is XFNPDIKPMJBGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c13-12(15-17)9-6-7-14-11(8-9)16-18-10-4-2-1-3-5-10/h1-8,17H,(H2,13,15)(H,14,16).
What are the key properties of N'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide?
N'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide has a molecular weight of 260.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(phenylsulfanylamino)pyridine-4-carboximidamide is sourced from PubChem (CID 144885074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).