1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one

C17H19N3OS — CID 172879257

IUPAC1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one
SMILESCC(=O)C(=NNc1ccc2ccccc2c1)N1CCSCC1
InChIInChI=1S/C17H19N3OS/c1-13(21)17(20-8-10-22-11-9-20)19-18-16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,18H,8-11H2,1H3
InChIKeyZHLARDYHPRAGOW-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.20
Rot. Bonds3

About 1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one

1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one (PubChem CID 172879257) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one
PubChem CID172879257
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one
SMILESCC(=O)C(=NNc1ccc2ccccc2c1)N1CCSCC1
InChIInChI=1S/C17H19N3OS/c1-13(21)17(20-8-10-22-11-9-20)19-18-16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,18H,8-11H2,1H3
InChIKeyZHLARDYHPRAGOW-UHFFFAOYSA-N
XLogP3.20
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one?
The IUPAC name of 1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one (CID 172879257) is 1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one.
What is the SMILES notation for 1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one?
The canonical SMILES for 1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one is CC(=O)C(=NNc1ccc2ccccc2c1)N1CCSCC1.
What is the InChIKey of 1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one?
The InChIKey is ZHLARDYHPRAGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-13(21)17(20-8-10-22-11-9-20)19-18-16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,18H,8-11H2,1H3.
What are the key properties of 1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one?
1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one has a molecular weight of 313.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylhydrazinylidene)-1-thiomorpholin-4-ylpropan-2-one is sourced from PubChem (CID 172879257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).