2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C14H25F3N4OS — CID 109485632

IUPAC2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)N1CCSC(CC)C1
InChIInChI=1S/C14H25F3N4OS/c1-4-11-9-21(6-7-23-11)13(18-5-2)19-8-12(22)20(3)10-14(15,16)17/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyABOVWLQMRLXWFP-UHFFFAOYSA-N
MW354.44 g/mol
LogP1.80
Rot. Bonds5

About 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 109485632) has the molecular formula C14H25F3N4OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID109485632
Molecular FormulaC14H25F3N4OS
Molecular Weight354.44 g/mol
Exact Mass354.17
IUPAC Name2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)N1CCSC(CC)C1
InChIInChI=1S/C14H25F3N4OS/c1-4-11-9-21(6-7-23-11)13(18-5-2)19-8-12(22)20(3)10-14(15,16)17/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyABOVWLQMRLXWFP-UHFFFAOYSA-N
XLogP1.80
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 109485632) is 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CCN/C(=N\CC(=O)N(C)CC(F)(F)F)N1CCSC(CC)C1.
What is the InChIKey of 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ABOVWLQMRLXWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4OS/c1-4-11-9-21(6-7-23-11)13(18-5-2)19-8-12(22)20(3)10-14(15,16)17/h11H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 354.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 109485632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).