(NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine

C17H19N3O2S — CID 56658590

IUPAC(NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine
SMILESCc1ccc(Oc2ccc(/C(=N/O)N3CCSCC3)cn2)cc1
InChIInChI=1S/C17H19N3O2S/c1-13-2-5-15(6-3-13)22-16-7-4-14(12-18-16)17(19-21)20-8-10-23-11-9-20/h2-7,12,21H,8-11H2,1H3/b19-17-
InChIKeySKUCYRKSBVLAOW-ZPHPHTNESA-N
MW329.43 g/mol
LogP3.37
Rot. Bonds3

About (NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine

(NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine (PubChem CID 56658590) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is (NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine
PubChem CID56658590
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name(NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine
SMILESCc1ccc(Oc2ccc(/C(=N/O)N3CCSCC3)cn2)cc1
InChIInChI=1S/C17H19N3O2S/c1-13-2-5-15(6-3-13)22-16-7-4-14(12-18-16)17(19-21)20-8-10-23-11-9-20/h2-7,12,21H,8-11H2,1H3/b19-17-
InChIKeySKUCYRKSBVLAOW-ZPHPHTNESA-N
XLogP3.37
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine (CID 56658590) is (NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine is Cc1ccc(Oc2ccc(/C(=N/O)N3CCSCC3)cn2)cc1.
What is the InChIKey of (NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine?
The InChIKey is SKUCYRKSBVLAOW-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13-2-5-15(6-3-13)22-16-7-4-14(12-18-16)17(19-21)20-8-10-23-11-9-20/h2-7,12,21H,8-11H2,1H3/b19-17-.
What are the key properties of (NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine?
(NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine has a molecular weight of 329.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[6-(4-methylphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine is sourced from PubChem (CID 56658590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).