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

C11H19F3N2O3S — CID 80520152

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C11H19F3N2O3S/c1-8(2)16(7-11(12,13)14)10(17)5-9-6-20(18,19)4-3-15-9/h8-9,15H,3-7H2,1-2H3
InChIKeyPCXLPQLZFFUQPW-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.56
Rot. Bonds4

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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80520152) has the molecular formula C11H19F3N2O3S and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80520152
Molecular FormulaC11H19F3N2O3S
Molecular Weight316.35 g/mol
Exact Mass316.11
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C11H19F3N2O3S/c1-8(2)16(7-11(12,13)14)10(17)5-9-6-20(18,19)4-3-15-9/h8-9,15H,3-7H2,1-2H3
InChIKeyPCXLPQLZFFUQPW-UHFFFAOYSA-N
XLogP0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.56
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-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 80520152) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(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-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PCXLPQLZFFUQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3S/c1-8(2)16(7-11(12,13)14)10(17)5-9-6-20(18,19)4-3-15-9/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 316.35 g/mol, XLogP of 0.56, 4 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-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 80520152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).