(1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

C11H17F3N2O3S — CID 114908656

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CN1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H17F3N2O3S/c12-11(13,14)8-1-2-9(15-7-8)10(17)16-3-5-20(18,19)6-4-16/h8-9,15H,1-7H2
InChIKeyQCQLHOZDWAYDFE-UHFFFAOYSA-N
MW314.33 g/mol
LogP0.17
Rot. Bonds1

About (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (PubChem CID 114908656) has the molecular formula C11H17F3N2O3S and a molecular weight of 314.33 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
PubChem CID114908656
Molecular FormulaC11H17F3N2O3S
Molecular Weight314.33 g/mol
Exact Mass314.09
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CN1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H17F3N2O3S/c12-11(13,14)8-1-2-9(15-7-8)10(17)16-3-5-20(18,19)6-4-16/h8-9,15H,1-7H2
InChIKeyQCQLHOZDWAYDFE-UHFFFAOYSA-N
XLogP0.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-methylsulfonyl-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 60918121
2-(1,1-Dioxo-1,4-thiazinan-3-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 80516032
2-(1,1-Dioxo-1,4-thiazinan-3-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 80519403
1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiolane-3-carboxamide
CID 82812392
Thiomorpholin-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 82909300
(3-Methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 102883596
1,1-dioxo-N-[6-(trifluoromethyl)piperidin-3-yl]thiane-2-carboxamide
CID 104518305
(1,1-Dioxo-1,4-thiazepan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 105561617
N-(2-ethylsulfonylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 105777880
N-[2-(methylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 106339577
N-[2-(ethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 106339588
N-[2-(dimethylsulfamoyl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 106339605

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (CID 114908656) is (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is O=C(C1CCC(C(F)(F)F)CN1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The InChIKey is QCQLHOZDWAYDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3S/c12-11(13,14)8-1-2-9(15-7-8)10(17)16-3-5-20(18,19)6-4-16/h8-9,15H,1-7H2.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone has a molecular weight of 314.33 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 114908656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).