(NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine

C17H19N3O3S — CID 56669742

IUPAC(NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine
SMILESCOc1ccccc1Oc1ncccc1/C(=N/O)N1CCSCC1
InChIInChI=1S/C17H19N3O3S/c1-22-14-6-2-3-7-15(14)23-17-13(5-4-8-18-17)16(19-21)20-9-11-24-12-10-20/h2-8,21H,9-12H2,1H3/b19-16-
InChIKeyCQGLQMZSGATCPQ-MNDPQUGUSA-N
MW345.42 g/mol
LogP3.07
Rot. Bonds4

About (NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine

(NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine (PubChem CID 56669742) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine
PubChem CID56669742
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine
SMILESCOc1ccccc1Oc1ncccc1/C(=N/O)N1CCSCC1
InChIInChI=1S/C17H19N3O3S/c1-22-14-6-2-3-7-15(14)23-17-13(5-4-8-18-17)16(19-21)20-9-11-24-12-10-20/h2-8,21H,9-12H2,1H3/b19-16-
InChIKeyCQGLQMZSGATCPQ-MNDPQUGUSA-N
XLogP3.07
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine (CID 56669742) is (NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine is COc1ccccc1Oc1ncccc1/C(=N/O)N1CCSCC1.
What is the InChIKey of (NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine?
The InChIKey is CQGLQMZSGATCPQ-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-22-14-6-2-3-7-15(14)23-17-13(5-4-8-18-17)16(19-21)20-9-11-24-12-10-20/h2-8,21H,9-12H2,1H3/b19-16-.
What are the key properties of (NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine?
(NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine has a molecular weight of 345.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine is sourced from PubChem (CID 56669742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).