N'-hydroxy-N-methoxysulfanylethanimidamide

C3H8N2O2S — CID 142049249

IUPACN'-hydroxy-N-methoxysulfanylethanimidamide
SMILESCOSN/C(C)=N\O
InChIInChI=1S/C3H8N2O2S/c1-3(4-6)5-8-7-2/h6H,1-2H3,(H,4,5)
InChIKeyZBIJDVDEEPAGJK-UHFFFAOYSA-N
MW136.18 g/mol
LogP0.59
Rot. Bonds2

About N'-hydroxy-N-methoxysulfanylethanimidamide

N'-hydroxy-N-methoxysulfanylethanimidamide (PubChem CID 142049249) has the molecular formula C3H8N2O2S and a molecular weight of 136.18 g/mol. Its IUPAC name is N'-hydroxy-N-methoxysulfanylethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-N-methoxysulfanylethanimidamide
PubChem CID142049249
Molecular FormulaC3H8N2O2S
Molecular Weight136.18 g/mol
Exact Mass136.03
IUPAC NameN'-hydroxy-N-methoxysulfanylethanimidamide
SMILESCOSN/C(C)=N\O
InChIInChI=1S/C3H8N2O2S/c1-3(4-6)5-8-7-2/h6H,1-2H3,(H,4,5)
InChIKeyZBIJDVDEEPAGJK-UHFFFAOYSA-N
XLogP0.59
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 50.59
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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 14897264
CID 14897264
N'-methoxyethanimidamide
CID 54439198
CID 58767968
CID 58767968
N'-hydroxy-N-hydroxysulfanylethanimidamide
CID 141963777
N'-hydroxy-N-methoxyethanimidamide
CID 145805863
N'-methoxysulfinylethanimidamide
CID 154552950
N'-hydroxyethanimidamide;hydrate
CID 173411510

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-methoxysulfanylethanimidamide?
The IUPAC name of N'-hydroxy-N-methoxysulfanylethanimidamide (CID 142049249) is N'-hydroxy-N-methoxysulfanylethanimidamide.
What is the SMILES notation for N'-hydroxy-N-methoxysulfanylethanimidamide?
The canonical SMILES for N'-hydroxy-N-methoxysulfanylethanimidamide is COSN/C(C)=N\O.
What is the InChIKey of N'-hydroxy-N-methoxysulfanylethanimidamide?
The InChIKey is ZBIJDVDEEPAGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2S/c1-3(4-6)5-8-7-2/h6H,1-2H3,(H,4,5).
What are the key properties of N'-hydroxy-N-methoxysulfanylethanimidamide?
N'-hydroxy-N-methoxysulfanylethanimidamide has a molecular weight of 136.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-methoxysulfanylethanimidamide is sourced from PubChem (CID 142049249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).