4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide

C6H10F3NO2S — CID 122269592

IUPAC4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)5-10-1-3-13(11,12)4-2-10/h1-5H2
InChIKeyPOROQTAXPJRYJM-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.28
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide

4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 122269592) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID122269592
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)5-10-1-3-13(11,12)4-2-10/h1-5H2
InChIKeyPOROQTAXPJRYJM-UHFFFAOYSA-N
XLogP0.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide (CID 122269592) is 4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is POROQTAXPJRYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c7-6(8,9)5-10-1-3-13(11,12)4-2-10/h1-5H2.
What are the key properties of 4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide?
4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 217.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 122269592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).