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

C12H19F3N2O3S — CID 102883596

IUPAC(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C12H19F3N2O3S/c1-8-7-21(19,20)5-4-17(8)11(18)10-3-2-9(6-16-10)12(13,14)15/h8-10,16H,2-7H2,1H3
InChIKeyGUMIEZSCPNQONW-UHFFFAOYSA-N
MW328.36 g/mol
LogP0.56
Rot. Bonds1

About (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (PubChem CID 102883596) has the molecular formula C12H19F3N2O3S and a molecular weight of 328.36 g/mol. Its IUPAC name is (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
PubChem CID102883596
Molecular FormulaC12H19F3N2O3S
Molecular Weight328.36 g/mol
Exact Mass328.11
IUPAC Name(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C12H19F3N2O3S/c1-8-7-21(19,20)5-4-17(8)11(18)10-3-2-9(6-16-10)12(13,14)15/h8-10,16H,2-7H2,1H3
InChIKeyGUMIEZSCPNQONW-UHFFFAOYSA-N
XLogP0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The IUPAC name of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (CID 102883596) is (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.
What is the SMILES notation for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The canonical SMILES for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is CC1CS(=O)(=O)CCN1C(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The InChIKey is GUMIEZSCPNQONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3S/c1-8-7-21(19,20)5-4-17(8)11(18)10-3-2-9(6-16-10)12(13,14)15/h8-10,16H,2-7H2,1H3.
What are the key properties of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone has a molecular weight of 328.36 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 102883596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).