4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide

C12H14F3NO2S — CID 3837112

IUPAC4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-19(17,18)8-6-16/h1-4H,5-9H2
InChIKeyFCFUCRZZRQXAEL-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.94
Rot. Bonds2

About 4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide

4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 3837112) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is 4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID3837112
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-19(17,18)8-6-16/h1-4H,5-9H2
InChIKeyFCFUCRZZRQXAEL-UHFFFAOYSA-N
XLogP1.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide (CID 3837112) is 4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is FCFUCRZZRQXAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-19(17,18)8-6-16/h1-4H,5-9H2.
What are the key properties of 4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide?
4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 293.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 3837112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).