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

C12H21F3N2O3S — CID 80516171

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C12H21F3N2O3S/c1-9(2)6-17(8-12(13,14)15)11(18)5-10-7-21(19,20)4-3-16-10/h9-10,16H,3-8H2,1-2H3
InChIKeyNTYFININTYZUBU-UHFFFAOYSA-N
MW330.37 g/mol
LogP0.81
Rot. Bonds5

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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80516171) has the molecular formula C12H21F3N2O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80516171
Molecular FormulaC12H21F3N2O3S
Molecular Weight330.37 g/mol
Exact Mass330.12
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C12H21F3N2O3S/c1-9(2)6-17(8-12(13,14)15)11(18)5-10-7-21(19,20)4-3-16-10/h9-10,16H,3-8H2,1-2H3
InChIKeyNTYFININTYZUBU-UHFFFAOYSA-N
XLogP0.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 50.81
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-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 80516171) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)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-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NTYFININTYZUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3S/c1-9(2)6-17(8-12(13,14)15)11(18)5-10-7-21(19,20)4-3-16-10/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 330.37 g/mol, XLogP of 0.81, 5 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-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 80516171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).