N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine

C8H11NOS — CID 71370058

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(C)sc1C
InChIInChI=1S/C8H11NOS/c1-5-4-8(6(2)9-10)7(3)11-5/h4,10H,1-3H3
InChIKeySBTUQKDDLZOUJO-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.56
Rot. Bonds1

About N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine

N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine (PubChem CID 71370058) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine
PubChem CID71370058
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1cc(C)sc1C
InChIInChI=1S/C8H11NOS/c1-5-4-8(6(2)9-10)7(3)11-5/h4,10H,1-3H3
InChIKeySBTUQKDDLZOUJO-UHFFFAOYSA-N
XLogP2.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.56
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine (CID 71370058) is N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine is CC(=NO)c1cc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine?
The InChIKey is SBTUQKDDLZOUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-5-4-8(6(2)9-10)7(3)11-5/h4,10H,1-3H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine?
N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine has a molecular weight of 169.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 71370058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).