N'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C15H15N3OS — CID 76916568

IUPACN'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1Sc1ccccc1)CCC2
InChIInChI=1S/C15H15N3OS/c16-14(18-19)12-9-10-5-4-8-13(10)17-15(12)20-11-6-2-1-3-7-11/h1-3,6-7,9,19H,4-5,8H2,(H2,16,18)
InChIKeyVEUZLSKHKUHPLU-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.82
Rot. Bonds3

About N'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

N'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 76916568) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID76916568
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1Sc1ccccc1)CCC2
InChIInChI=1S/C15H15N3OS/c16-14(18-19)12-9-10-5-4-8-13(10)17-15(12)20-11-6-2-1-3-7-11/h1-3,6-7,9,19H,4-5,8H2,(H2,16,18)
InChIKeyVEUZLSKHKUHPLU-UHFFFAOYSA-N
XLogP2.82
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 76916568) is N'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is NC(=NO)c1cc2c(nc1Sc1ccccc1)CCC2.
What is the InChIKey of N'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is VEUZLSKHKUHPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-14(18-19)12-9-10-5-4-8-13(10)17-15(12)20-11-6-2-1-3-7-11/h1-3,6-7,9,19H,4-5,8H2,(H2,16,18).
What are the key properties of N'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
N'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 285.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 76916568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).