(NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine

C6H8N2O2S — CID 6340976

IUPAC(NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine
SMILESO/N=C(\CNO)c1cccs1
InChIInChI=1S/C6H8N2O2S/c9-7-4-5(8-10)6-2-1-3-11-6/h1-3,7,9-10H,4H2/b8-5+
InChIKeyDXYHOVAMNUSWQV-VMPITWQZSA-N
MW172.21 g/mol
LogP0.91
Rot. Bonds3

About (NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine

(NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine (PubChem CID 6340976) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is (NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine
PubChem CID6340976
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name(NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine
SMILESO/N=C(\CNO)c1cccs1
InChIInChI=1S/C6H8N2O2S/c9-7-4-5(8-10)6-2-1-3-11-6/h1-3,7,9-10H,4H2/b8-5+
InChIKeyDXYHOVAMNUSWQV-VMPITWQZSA-N
XLogP0.91
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.91
H-Bond Donors ≤ 53
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-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine (CID 6340976) is (NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine is O/N=C(\CNO)c1cccs1.
What is the InChIKey of (NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine?
The InChIKey is DXYHOVAMNUSWQV-VMPITWQZSA-N. The full InChI is InChI=1S/C6H8N2O2S/c9-7-4-5(8-10)6-2-1-3-11-6/h1-3,7,9-10H,4H2/b8-5+.
What are the key properties of (NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine?
(NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine has a molecular weight of 172.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine is sourced from PubChem (CID 6340976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).