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

C9H15F3N2O3S — CID 80519941

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C9H15F3N2O3S/c1-14(6-9(10,11)12)8(15)4-7-5-18(16,17)3-2-13-7/h7,13H,2-6H2,1H3
InChIKeyIBNMYGMDYUKUIO-UHFFFAOYSA-N
MW288.29 g/mol
LogP-0.22
Rot. Bonds3

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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80519941) has the molecular formula C9H15F3N2O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80519941
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C9H15F3N2O3S/c1-14(6-9(10,11)12)8(15)4-7-5-18(16,17)3-2-13-7/h7,13H,2-6H2,1H3
InChIKeyIBNMYGMDYUKUIO-UHFFFAOYSA-N
XLogP-0.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
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-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 80519941) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IBNMYGMDYUKUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c1-14(6-9(10,11)12)8(15)4-7-5-18(16,17)3-2-13-7/h7,13H,2-6H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 288.29 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 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-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 80519941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).