2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H13F3N2O3S — CID 80519788

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3S/c9-8(10,11)5-13-7(14)3-6-4-17(15,16)2-1-12-6/h6,12H,1-5H2,(H,13,14)
InChIKeyAEVWLPGUXHYQRY-UHFFFAOYSA-N
MW274.26 g/mol
LogP-0.56
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80519788) has the molecular formula C8H13F3N2O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80519788
Molecular FormulaC8H13F3N2O3S
Molecular Weight274.26 g/mol
Exact Mass274.06
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3S/c9-8(10,11)5-13-7(14)3-6-4-17(15,16)2-1-12-6/h6,12H,1-5H2,(H,13,14)
InChIKeyAEVWLPGUXHYQRY-UHFFFAOYSA-N
XLogP-0.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 80519788) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1CS(=O)(=O)CCN1)NCC(F)(F)F.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AEVWLPGUXHYQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3S/c9-8(10,11)5-13-7(14)3-6-4-17(15,16)2-1-12-6/h6,12H,1-5H2,(H,13,14).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 274.26 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 80519788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).