4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide

C11H14F3NO3S — CID 2738457

IUPAC4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1cc(CN2CCS(=O)(=O)CC2)c(C(F)(F)F)o1
InChIInChI=1S/C11H14F3NO3S/c1-8-6-9(10(18-8)11(12,13)14)7-15-2-4-19(16,17)5-3-15/h6H,2-5,7H2,1H3
InChIKeyPFXOKYSBTXWOPU-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.84
Rot. Bonds2

About 4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide

4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 2738457) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID2738457
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1cc(CN2CCS(=O)(=O)CC2)c(C(F)(F)F)o1
InChIInChI=1S/C11H14F3NO3S/c1-8-6-9(10(18-8)11(12,13)14)7-15-2-4-19(16,17)5-3-15/h6H,2-5,7H2,1H3
InChIKeyPFXOKYSBTXWOPU-UHFFFAOYSA-N
XLogP1.84
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide (CID 2738457) is 4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide is Cc1cc(CN2CCS(=O)(=O)CC2)c(C(F)(F)F)o1.
What is the InChIKey of 4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is PFXOKYSBTXWOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-8-6-9(10(18-8)11(12,13)14)7-15-2-4-19(16,17)5-3-15/h6H,2-5,7H2,1H3.
What are the key properties of 4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide?
4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 297.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 2738457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).