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

C9H15F3N2O3S — CID 80520856

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3S/c10-9(11,12)1-2-14-8(15)5-7-6-18(16,17)4-3-13-7/h7,13H,1-6H2,(H,14,15)
InChIKeyQINOSONVLUNFOH-UHFFFAOYSA-N
MW288.29 g/mol
LogP-0.17
Rot. Bonds4

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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 80520856) 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-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID80520856
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,3,3-trifluoropropyl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)NCCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3S/c10-9(11,12)1-2-14-8(15)5-7-6-18(16,17)4-3-13-7/h7,13H,1-6H2,(H,14,15)
InChIKeyQINOSONVLUNFOH-UHFFFAOYSA-N
XLogP-0.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 5-0.17
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-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,3,3-trifluoropropyl)acetamide (CID 80520856) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,3,3-trifluoropropyl)acetamide is O=C(CC1CS(=O)(=O)CCN1)NCCC(F)(F)F.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is QINOSONVLUNFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c10-9(11,12)1-2-14-8(15)5-7-6-18(16,17)4-3-13-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,3,3-trifluoropropyl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 288.29 g/mol, XLogP of -0.17, 4 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-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 80520856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).