(NE)-N-(thiophen-2-ylmethylidene)hydroxylamine

C5H5NOS — CID 6876527

IUPAC(NE)-N-(thiophen-2-ylmethylidene)hydroxylamine
SMILESO/N=C/c1cccs1
InChIInChI=1S/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+
InChIKeyGASLBPLHYRZLLT-GQCTYLIASA-N
MW127.17 g/mol
LogP1.56
Rot. Bonds1

About (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine

(NE)-N-(thiophen-2-ylmethylidene)hydroxylamine (PubChem CID 6876527) has the molecular formula C5H5NOS and a molecular weight of 127.17 g/mol. Its IUPAC name is (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(thiophen-2-ylmethylidene)hydroxylamine
PubChem CID6876527
Molecular FormulaC5H5NOS
Molecular Weight127.17 g/mol
Exact Mass127.01
IUPAC Name(NE)-N-(thiophen-2-ylmethylidene)hydroxylamine
SMILESO/N=C/c1cccs1
InChIInChI=1S/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+
InChIKeyGASLBPLHYRZLLT-GQCTYLIASA-N
XLogP1.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 51.56
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

(Hydroxyimino)(5-methyl-2-methylthio(3-thienyl))methane
CID 6863242
(C(E))-5-Bromo-2-thiophenecarboxaldehyde oxime
CID 9578377
1-(2-Thienyl)ethanone oxime
CID 5324550
Hydrazinecarboximidamide, 2-(2-thienylmethylene)-
CID 9561633
(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine
CID 5371572
4-Bromo-2-thiophenecarbaldehyde oxime
CID 9579805
2-Thiophenecarbaldehyde oxime
CID 97275
ethanone, 1-(2-thienyl)-, oxime, (1Z)-
CID 16061
1-Thiophen-2-yl-ethanone oxime
CID 5324551
N-Thenylidene-2-aminoethanol
CID 52733
N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine
CID 2739836
(NZ)-N-[(5-thiophen-2-ylthiophen-2-yl)methylidene]hydroxylamine
CID 5703204

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine (CID 6876527) is (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine is O/N=C/c1cccs1.
What is the InChIKey of (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine?
The InChIKey is GASLBPLHYRZLLT-GQCTYLIASA-N. The full InChI is InChI=1S/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+.
What are the key properties of (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine?
(NE)-N-(thiophen-2-ylmethylidene)hydroxylamine has a molecular weight of 127.17 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(thiophen-2-ylmethylidene)hydroxylamine is sourced from PubChem (CID 6876527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).