2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O2S — CID 97054899

IUPAC2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CC[S@](=O)C(C)(C)C1
InChIInChI=1S/C11H19F3N2O2S/c1-10(2)7-16(4-5-19(10)18)6-9(17)15(3)8-11(12,13)14/h4-8H2,1-3H3/t19-/m0/s1
InChIKeyNAGSOOLEWOESPK-IBGZPJMESA-N
MW300.35 g/mol
LogP0.85
Rot. Bonds3

About 2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 97054899) has the molecular formula C11H19F3N2O2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID97054899
Molecular FormulaC11H19F3N2O2S
Molecular Weight300.35 g/mol
Exact Mass300.11
IUPAC Name2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CC[S@](=O)C(C)(C)C1
InChIInChI=1S/C11H19F3N2O2S/c1-10(2)7-16(4-5-19(10)18)6-9(17)15(3)8-11(12,13)14/h4-8H2,1-3H3/t19-/m0/s1
InChIKeyNAGSOOLEWOESPK-IBGZPJMESA-N
XLogP0.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 97054899) is 2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CN1CC[S@](=O)C(C)(C)C1.
What is the InChIKey of 2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NAGSOOLEWOESPK-IBGZPJMESA-N. The full InChI is InChI=1S/C11H19F3N2O2S/c1-10(2)7-16(4-5-19(10)18)6-9(17)15(3)8-11(12,13)14/h4-8H2,1-3H3/t19-/m0/s1.
What are the key properties of 2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 300.35 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 97054899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).