(NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine

C6H7NO2S — CID 59646773

IUPAC(NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine
SMILESCSc1ccc(/C=N\O)o1
InChIInChI=1S/C6H7NO2S/c1-10-6-3-2-5(9-6)4-7-8/h2-4,8H,1H3/b7-4-
InChIKeyCPXXWSZOIHNGNY-DAXSKMNVSA-N
MW157.19 g/mol
LogP1.81
Rot. Bonds2

About (NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine

(NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine (PubChem CID 59646773) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is (NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine
PubChem CID59646773
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name(NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine
SMILESCSc1ccc(/C=N\O)o1
InChIInChI=1S/C6H7NO2S/c1-10-6-3-2-5(9-6)4-7-8/h2-4,8H,1H3/b7-4-
InChIKeyCPXXWSZOIHNGNY-DAXSKMNVSA-N
XLogP1.81
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine (CID 59646773) is (NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine is CSc1ccc(/C=N\O)o1.
What is the InChIKey of (NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine?
The InChIKey is CPXXWSZOIHNGNY-DAXSKMNVSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-10-6-3-2-5(9-6)4-7-8/h2-4,8H,1H3/b7-4-.
What are the key properties of (NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine?
(NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine has a molecular weight of 157.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(5-methylsulfanylfuran-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 59646773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).