2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide

C14H16F3N3OS — CID 5338386

IUPAC2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(CN1CCSCC1)N/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3OS/c15-14(16,17)12-3-1-11(2-4-12)9-18-19-13(21)10-20-5-7-22-8-6-20/h1-4,9H,5-8,10H2,(H,19,21)/b18-9+
InChIKeyNPPRWDMRKZBCAM-GIJQJNRQSA-N
MW331.36 g/mol
LogP2.20
Rot. Bonds4

About 2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide

2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide (PubChem CID 5338386) has the molecular formula C14H16F3N3OS and a molecular weight of 331.36 g/mol. Its IUPAC name is 2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
PubChem CID5338386
Molecular FormulaC14H16F3N3OS
Molecular Weight331.36 g/mol
Exact Mass331.10
IUPAC Name2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(CN1CCSCC1)N/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3OS/c15-14(16,17)12-3-1-11(2-4-12)9-18-19-13(21)10-20-5-7-22-8-6-20/h1-4,9H,5-8,10H2,(H,19,21)/b18-9+
InChIKeyNPPRWDMRKZBCAM-GIJQJNRQSA-N
XLogP2.20
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 52.20
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

N-(pyridin-4-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 139238171
N-[(Z)-(4-phenylphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 5406294
N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 792193
2-thiomorpholin-4-yl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338380
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 1235303
N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 786045
N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 174961803
N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 791501
N-[(E)-(2-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 6894704
2-piperidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 23723072
2-(azepan-1-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 786204
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide (CID 5338386) is 2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is O=C(CN1CCSCC1)N/N=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The InChIKey is NPPRWDMRKZBCAM-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H16F3N3OS/c15-14(16,17)12-3-1-11(2-4-12)9-18-19-13(21)10-20-5-7-22-8-6-20/h1-4,9H,5-8,10H2,(H,19,21)/b18-9+.
What are the key properties of 2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide?
2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide has a molecular weight of 331.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-yl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 5338386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).