N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide

C13H16FN3OS — CID 6894704

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
SMILESO=C(CN1CCSCC1)N/N=C/c1ccccc1F
InChIInChI=1S/C13H16FN3OS/c14-12-4-2-1-3-11(12)9-15-16-13(18)10-17-5-7-19-8-6-17/h1-4,9H,5-8,10H2,(H,16,18)/b15-9+
InChIKeyZMHBDZRAWDTXGC-OQLLNIDSSA-N
MW281.36 g/mol
LogP1.32
Rot. Bonds4

About N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide

N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide (PubChem CID 6894704) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
PubChem CID6894704
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
SMILESO=C(CN1CCSCC1)N/N=C/c1ccccc1F
InChIInChI=1S/C13H16FN3OS/c14-12-4-2-1-3-11(12)9-15-16-13(18)10-17-5-7-19-8-6-17/h1-4,9H,5-8,10H2,(H,16,18)/b15-9+
InChIKeyZMHBDZRAWDTXGC-OQLLNIDSSA-N
XLogP1.32
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-thiomorpholin-4-yl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338380
N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 5406294
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 1235303
N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 791501
N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 139238171
N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 786045
2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338386
N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659
N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 5338404
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 5340045
2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid
CID 5426518
2-(azepan-1-yl)-N-[(E)-(2-bromophenyl)methylideneamino]acetamide
CID 6894512

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide (CID 6894704) is N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide is O=C(CN1CCSCC1)N/N=C/c1ccccc1F.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
The InChIKey is ZMHBDZRAWDTXGC-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H16FN3OS/c14-12-4-2-1-3-11(12)9-15-16-13(18)10-17-5-7-19-8-6-17/h1-4,9H,5-8,10H2,(H,16,18)/b15-9+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide?
N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide has a molecular weight of 281.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 6894704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).