1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone

C7H10F3NOS2 — CID 51083055

IUPAC1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)N1CCSCC1
InChIInChI=1S/C7H10F3NOS2/c8-7(9,10)14-5-6(12)11-1-3-13-4-2-11/h1-5H2
InChIKeyHWMLSQWFONCSIT-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.81
Rot. Bonds2

About 1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone

1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone (PubChem CID 51083055) has the molecular formula C7H10F3NOS2 and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone
PubChem CID51083055
Molecular FormulaC7H10F3NOS2
Molecular Weight245.29 g/mol
Exact Mass245.02
IUPAC Name1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)N1CCSCC1
InChIInChI=1S/C7H10F3NOS2/c8-7(9,10)14-5-6(12)11-1-3-13-4-2-11/h1-5H2
InChIKeyHWMLSQWFONCSIT-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone?
The IUPAC name of 1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone (CID 51083055) is 1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone.
What is the SMILES notation for 1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone?
The canonical SMILES for 1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone is O=C(CSC(F)(F)F)N1CCSCC1.
What is the InChIKey of 1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone?
The InChIKey is HWMLSQWFONCSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NOS2/c8-7(9,10)14-5-6(12)11-1-3-13-4-2-11/h1-5H2.
What are the key properties of 1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone?
1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone has a molecular weight of 245.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone is sourced from PubChem (CID 51083055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).