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

C10H17F3N2OS — CID 66420303

IUPACN-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C10H17F3N2OS/c1-2-15(7-10(11,12)13)9(16)5-8-6-17-4-3-14-8/h8,14H,2-7H2,1H3
InChIKeyYIHFZYHFHMPHAH-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.49
Rot. Bonds4

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

N-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66420303) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is N-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66420303
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC NameN-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C10H17F3N2OS/c1-2-15(7-10(11,12)13)9(16)5-8-6-17-4-3-14-8/h8,14H,2-7H2,1H3
InChIKeyYIHFZYHFHMPHAH-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 66420303) is N-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)CC1CSCCN1.
What is the InChIKey of N-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YIHFZYHFHMPHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-2-15(7-10(11,12)13)9(16)5-8-6-17-4-3-14-8/h8,14H,2-7H2,1H3.
What are the key properties of N-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 270.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66420303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).