2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide

C8H13F3N2OS — CID 66421407

IUPAC2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CSCCN1)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2OS/c9-8(10,11)5-13-7(14)3-6-4-15-2-1-12-6/h6,12H,1-5H2,(H,13,14)
InChIKeyAMGUFYDTZDWUGX-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.76
Rot. Bonds3

About 2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide

2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66421407) has the molecular formula C8H13F3N2OS and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66421407
Molecular FormulaC8H13F3N2OS
Molecular Weight242.27 g/mol
Exact Mass242.07
IUPAC Name2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CSCCN1)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2OS/c9-8(10,11)5-13-7(14)3-6-4-15-2-1-12-6/h6,12H,1-5H2,(H,13,14)
InChIKeyAMGUFYDTZDWUGX-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 66421407) is 2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1CSCCN1)NCC(F)(F)F.
What is the InChIKey of 2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AMGUFYDTZDWUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2OS/c9-8(10,11)5-13-7(14)3-6-4-15-2-1-12-6/h6,12H,1-5H2,(H,13,14).
What are the key properties of 2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 242.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66421407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).