N'-hydroxy-4-methylsulfanylbutanimidamide

C5H12N2OS — CID 61023327

IUPACN'-hydroxy-4-methylsulfanylbutanimidamide
SMILESCSCCC/C(N)=N/O
InChIInChI=1S/C5H12N2OS/c1-9-4-2-3-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7)
InChIKeyWBKZPGCSQTXMOS-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.88
Rot. Bonds4

About N'-hydroxy-4-methylsulfanylbutanimidamide

N'-hydroxy-4-methylsulfanylbutanimidamide (PubChem CID 61023327) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is N'-hydroxy-4-methylsulfanylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methylsulfanylbutanimidamide
PubChem CID61023327
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC NameN'-hydroxy-4-methylsulfanylbutanimidamide
SMILESCSCCC/C(N)=N/O
InChIInChI=1S/C5H12N2OS/c1-9-4-2-3-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7)
InChIKeyWBKZPGCSQTXMOS-UHFFFAOYSA-N
XLogP0.88
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methylsulfanylbutanimidamide?
The IUPAC name of N'-hydroxy-4-methylsulfanylbutanimidamide (CID 61023327) is N'-hydroxy-4-methylsulfanylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-methylsulfanylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-methylsulfanylbutanimidamide is CSCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-methylsulfanylbutanimidamide?
The InChIKey is WBKZPGCSQTXMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-9-4-2-3-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7).
What are the key properties of N'-hydroxy-4-methylsulfanylbutanimidamide?
N'-hydroxy-4-methylsulfanylbutanimidamide has a molecular weight of 148.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methylsulfanylbutanimidamide is sourced from PubChem (CID 61023327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).