3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide

C6H10F3NOS — CID 66218433

IUPAC3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)CC(C(F)(F)F)N1
InChIInChI=1S/C6H10F3NOS/c1-4-2-12(11)3-5(10-4)6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKeyWFKWIRSLUWJZLU-UHFFFAOYSA-N
MW201.21 g/mol
LogP0.66
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide

3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide (PubChem CID 66218433) has the molecular formula C6H10F3NOS and a molecular weight of 201.21 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide
PubChem CID66218433
Molecular FormulaC6H10F3NOS
Molecular Weight201.21 g/mol
Exact Mass201.04
IUPAC Name3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)CC(C(F)(F)F)N1
InChIInChI=1S/C6H10F3NOS/c1-4-2-12(11)3-5(10-4)6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKeyWFKWIRSLUWJZLU-UHFFFAOYSA-N
XLogP0.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide (CID 66218433) is 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide is CC1CS(=O)CC(C(F)(F)F)N1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide?
The InChIKey is WFKWIRSLUWJZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NOS/c1-4-2-12(11)3-5(10-4)6(7,8)9/h4-5,10H,2-3H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide?
3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide has a molecular weight of 201.21 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66218433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).