2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

C10H17F3N2O2S — CID 66420918

IUPAC2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESO=C(CC1CSCCN1)NCCOCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)7-17-3-1-15-9(16)5-8-6-18-4-2-14-8/h8,14H,1-7H2,(H,15,16)
InChIKeyXEZXHXWROBVZMM-UHFFFAOYSA-N
MW286.32 g/mol
LogP0.78
Rot. Bonds6

About 2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 66420918) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID66420918
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC Name2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESO=C(CC1CSCCN1)NCCOCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)7-17-3-1-15-9(16)5-8-6-18-4-2-14-8/h8,14H,1-7H2,(H,15,16)
InChIKeyXEZXHXWROBVZMM-UHFFFAOYSA-N
XLogP0.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 66420918) is 2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is O=C(CC1CSCCN1)NCCOCC(F)(F)F.
What is the InChIKey of 2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is XEZXHXWROBVZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)7-17-3-1-15-9(16)5-8-6-18-4-2-14-8/h8,14H,1-7H2,(H,15,16).
What are the key properties of 2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide has a molecular weight of 286.32 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 66420918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).