(NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine

C6H7NOS — CID 5324551

IUPAC(NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine
SMILESC/C(=N\O)c1cccs1
InChIInChI=1S/C6H7NOS/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3/b7-5+
InChIKeyHODHTVIKKXGOCP-FNORWQNLSA-N
MW141.19 g/mol
LogP1.95
Rot. Bonds1

About (NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine

(NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine (PubChem CID 5324551) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is (NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine
PubChem CID5324551
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name(NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine
SMILESC/C(=N\O)c1cccs1
InChIInChI=1S/C6H7NOS/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3/b7-5+
InChIKeyHODHTVIKKXGOCP-FNORWQNLSA-N
XLogP1.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

Thiophene-2-aldoxime
CID 6876527
1-(2-Thienyl)ethanone oxime
CID 5324550
(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine
CID 5371572
2-Thiophenecarbaldehyde oxime
CID 97275
ethanone, 1-(2-thienyl)-, oxime, (1Z)-
CID 16061
Di(thiophen-2-yl)methanone oxime
CID 2775140
2-Acetyl-5-methylthiophene oxime
CID 5381054
4-(2-thienyl)-5H-1,3-dithiazole-5-thione
CID 44569472
(1e,3e)-2-Methyl-1-thien-2-ylpent-1-en-3-one oxime
CID 44194643
N-methyl-1-thiophen-2-ylmethanimine oxide
CID 820835
Djawvthaoiurig-bjmvgyqfsa-
CID 5851289
(1E)-1-(2-thienyl)ethanone hydrazone
CID 5875397

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine (CID 5324551) is (NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine is C/C(=N\O)c1cccs1.
What is the InChIKey of (NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine?
The InChIKey is HODHTVIKKXGOCP-FNORWQNLSA-N. The full InChI is InChI=1S/C6H7NOS/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3/b7-5+.
What are the key properties of (NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine?
(NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine has a molecular weight of 141.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-thiophen-2-ylethylidene)hydroxylamine is sourced from PubChem (CID 5324551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).