(NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine

C7H9NOS — CID 14117293

IUPAC(NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine
SMILESCc1cc(/C=N/O)c(C)s1
InChIInChI=1S/C7H9NOS/c1-5-3-7(4-8-9)6(2)10-5/h3-4,9H,1-2H3/b8-4+
InChIKeyWQBOPPMZPVSEEK-XBXARRHUSA-N
MW155.22 g/mol
LogP2.17
Rot. Bonds1

About (NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine

(NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine (PubChem CID 14117293) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is (NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine
PubChem CID14117293
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name(NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine
SMILESCc1cc(/C=N/O)c(C)s1
InChIInChI=1S/C7H9NOS/c1-5-3-7(4-8-9)6(2)10-5/h3-4,9H,1-2H3/b8-4+
InChIKeyWQBOPPMZPVSEEK-XBXARRHUSA-N
XLogP2.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.17
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

CID 5371572
CID 5371572
CID 6876527
CID 6876527
CID 6863242
CID 6863242
CID 97275
CID 97275
CID 44276286
CID 44276286
CID 15033310
CID 15033310
CID 1562253
CID 1562253
CID 9579802
CID 9579802
CID 6871254
CID 6871254
CID 678412
CID 678412
CID 76625873
CID 76625873
CID 85612694
CID 85612694

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine (CID 14117293) is (NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine is Cc1cc(/C=N/O)c(C)s1.
What is the InChIKey of (NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine?
The InChIKey is WQBOPPMZPVSEEK-XBXARRHUSA-N. The full InChI is InChI=1S/C7H9NOS/c1-5-3-7(4-8-9)6(2)10-5/h3-4,9H,1-2H3/b8-4+.
What are the key properties of (NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine?
(NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine has a molecular weight of 155.22 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,5-dimethylthiophen-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 14117293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).