(NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine

C7H8N2O2S — CID 135426050

IUPAC(NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=N\O)c1cccs1
InChIInChI=1S/C7H8N2O2S/c1-5(8-10)7(9-11)6-3-2-4-12-6/h2-4,10-11H,1H3/b8-5+,9-7+
InChIKeyFBDNKUAMGBUPNA-OCIXRKKMSA-N
MW184.22 g/mol
LogP1.78
Rot. Bonds2

About (NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine

(NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine (PubChem CID 135426050) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is (NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine
PubChem CID135426050
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name(NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=N\O)c1cccs1
InChIInChI=1S/C7H8N2O2S/c1-5(8-10)7(9-11)6-3-2-4-12-6/h2-4,10-11H,1H3/b8-5+,9-7+
InChIKeyFBDNKUAMGBUPNA-OCIXRKKMSA-N
XLogP1.78
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine (CID 135426050) is (NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine is CC(=N\O)/C(=N\O)c1cccs1.
What is the InChIKey of (NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine?
The InChIKey is FBDNKUAMGBUPNA-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-5(8-10)7(9-11)6-3-2-4-12-6/h2-4,10-11H,1H3/b8-5+,9-7+.
What are the key properties of (NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine?
(NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine has a molecular weight of 184.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1E)-1-hydroxyimino-1-thiophen-2-ylpropan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135426050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).