(NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine

C8H11NOS — CID 172938099

IUPAC(NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine
SMILESCc1sc(/C=N\O)c(C)c1C
InChIInChI=1S/C8H11NOS/c1-5-6(2)8(4-9-10)11-7(5)3/h4,10H,1-3H3/b9-4-
InChIKeyDWDMCFARDCEGQT-WTKPLQERSA-N
MW169.25 g/mol
LogP2.48
Rot. Bonds1

About (NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine

(NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine (PubChem CID 172938099) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is (NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine
PubChem CID172938099
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name(NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine
SMILESCc1sc(/C=N\O)c(C)c1C
InChIInChI=1S/C8H11NOS/c1-5-6(2)8(4-9-10)11-7(5)3/h4,10H,1-3H3/b9-4-
InChIKeyDWDMCFARDCEGQT-WTKPLQERSA-N
XLogP2.48
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 ≤ 52.48
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 (NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine (CID 172938099) is (NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine is Cc1sc(/C=N\O)c(C)c1C.
What is the InChIKey of (NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine?
The InChIKey is DWDMCFARDCEGQT-WTKPLQERSA-N. The full InChI is InChI=1S/C8H11NOS/c1-5-6(2)8(4-9-10)11-7(5)3/h4,10H,1-3H3/b9-4-.
What are the key properties of (NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine?
(NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine has a molecular weight of 169.25 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3,4,5-trimethylthiophen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 172938099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).