(NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine

C10H8N2O2S — CID 171980324

IUPAC(NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(Sc2ccccn2)o1
InChIInChI=1S/C10H8N2O2S/c13-12-7-8-4-5-10(14-8)15-9-3-1-2-6-11-9/h1-7,13H/b12-7+
InChIKeyKOYOYXOJWQLPAO-KPKJPENVSA-N
MW220.25 g/mol
LogP2.63
Rot. Bonds3

About (NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine

(NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine (PubChem CID 171980324) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is (NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine
PubChem CID171980324
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name(NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(Sc2ccccn2)o1
InChIInChI=1S/C10H8N2O2S/c13-12-7-8-4-5-10(14-8)15-9-3-1-2-6-11-9/h1-7,13H/b12-7+
InChIKeyKOYOYXOJWQLPAO-KPKJPENVSA-N
XLogP2.63
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine (CID 171980324) is (NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine is O/N=C/c1ccc(Sc2ccccn2)o1.
What is the InChIKey of (NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine?
The InChIKey is KOYOYXOJWQLPAO-KPKJPENVSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-12-7-8-4-5-10(14-8)15-9-3-1-2-6-11-9/h1-7,13H/b12-7+.
What are the key properties of (NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine?
(NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine has a molecular weight of 220.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 171980324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).