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

C11H17F3N2O3S — CID 80520196

IUPACN-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N2O3S/c12-11(13,14)7-16(9-1-2-9)10(17)5-8-6-20(18,19)4-3-15-8/h8-9,15H,1-7H2
InChIKeyRFBKBRKPQQJSRE-UHFFFAOYSA-N
MW314.33 g/mol
LogP0.32
Rot. Bonds4

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

N-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 80520196) has the molecular formula C11H17F3N2O3S and a molecular weight of 314.33 g/mol. Its IUPAC name is N-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID80520196
Molecular FormulaC11H17F3N2O3S
Molecular Weight314.33 g/mol
Exact Mass314.09
IUPAC NameN-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N2O3S/c12-11(13,14)7-16(9-1-2-9)10(17)5-8-6-20(18,19)4-3-15-8/h8-9,15H,1-7H2
InChIKeyRFBKBRKPQQJSRE-UHFFFAOYSA-N
XLogP0.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 80520196) is N-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1CS(=O)(=O)CCN1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RFBKBRKPQQJSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3S/c12-11(13,14)7-16(9-1-2-9)10(17)5-8-6-20(18,19)4-3-15-8/h8-9,15H,1-7H2.
What are the key properties of N-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 314.33 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 80520196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).