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

C9H15F3N2OS — CID 66422236

IUPACN-methyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C9H15F3N2OS/c1-14(6-9(10,11)12)8(15)4-7-5-16-3-2-13-7/h7,13H,2-6H2,1H3
InChIKeyFCNGCOSBCOSTMF-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.10
Rot. Bonds3

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

N-methyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66422236) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is N-methyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66422236
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC NameN-methyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C9H15F3N2OS/c1-14(6-9(10,11)12)8(15)4-7-5-16-3-2-13-7/h7,13H,2-6H2,1H3
InChIKeyFCNGCOSBCOSTMF-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 66422236) is N-methyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CC1CSCCN1.
What is the InChIKey of N-methyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FCNGCOSBCOSTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c1-14(6-9(10,11)12)8(15)4-7-5-16-3-2-13-7/h7,13H,2-6H2,1H3.
What are the key properties of N-methyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 256.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiomorpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66422236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).