N'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide

C6H14N2O2S — CID 43617547

IUPACN'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide
SMILESN/C(CCCSCCO)=N\O
InChIInChI=1S/C6H14N2O2S/c7-6(8-10)2-1-4-11-5-3-9/h9-10H,1-5H2,(H2,7,8)
InChIKeyOHQYYARGJQEDLO-UHFFFAOYSA-N
MW178.26 g/mol
LogP0.24
Rot. Bonds6

About N'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide

N'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide (PubChem CID 43617547) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide
PubChem CID43617547
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide
SMILESN/C(CCCSCCO)=N\O
InChIInChI=1S/C6H14N2O2S/c7-6(8-10)2-1-4-11-5-3-9/h9-10H,1-5H2,(H2,7,8)
InChIKeyOHQYYARGJQEDLO-UHFFFAOYSA-N
XLogP0.24
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-4-(2-hydroxyethylsulfanyl)butanimidamide?
The IUPAC name of N'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide (CID 43617547) is N'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide is N/C(CCCSCCO)=N\O.
What is the InChIKey of N'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide?
The InChIKey is OHQYYARGJQEDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c7-6(8-10)2-1-4-11-5-3-9/h9-10H,1-5H2,(H2,7,8).
What are the key properties of N'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide?
N'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide has a molecular weight of 178.26 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-hydroxyethylsulfanyl)butanimidamide is sourced from PubChem (CID 43617547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).