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

C7H12F3NOS — CID 66229940

IUPAC3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide
SMILESCC1(C)CS(=O)CC(C(F)(F)F)N1
InChIInChI=1S/C7H12F3NOS/c1-6(2)4-13(12)3-5(11-6)7(8,9)10/h5,11H,3-4H2,1-2H3
InChIKeyQGENNHNRLBEMBD-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.05
Rot. Bonds

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

3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide (PubChem CID 66229940) has the molecular formula C7H12F3NOS and a molecular weight of 215.24 g/mol. Its IUPAC name is 3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide
PubChem CID66229940
Molecular FormulaC7H12F3NOS
Molecular Weight215.24 g/mol
Exact Mass215.06
IUPAC Name3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide
SMILESCC1(C)CS(=O)CC(C(F)(F)F)N1
InChIInChI=1S/C7H12F3NOS/c1-6(2)4-13(12)3-5(11-6)7(8,9)10/h5,11H,3-4H2,1-2H3
InChIKeyQGENNHNRLBEMBD-UHFFFAOYSA-N
XLogP1.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Dimethyl-1lambda4-thiomorpholin-1-one
CID 22363313
3,3-Dimethyl-1lambda4-thiomorpholin-1-one hydrochloride
CID 75481300
3-Methyl-1lambda4-thiomorpholin-1-one
CID 12600303
(3S)-3-methyl-1,4-thiazinane 1-oxide
CID 55287544
1-oxo-N-(2,2,2-trifluoroethyl)thian-4-amine
CID 61565584
1-oxo-N-(3,3,3-trifluoropropyl)thian-4-amine
CID 63226371
3-(Trifluoromethyl)-1,4-thiazinane 1-oxide
CID 65171499
3-(Trifluoromethyl)-1,4-thiazinane 1,1-dioxide
CID 65171550
3-Methyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide
CID 66218433
3-Methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
CID 66219172
3-Methyl-5-(trifluoromethyl)thiomorpholine
CID 66220145
3,3-Dimethyl-5-(trifluoromethyl)thiomorpholine
CID 66228765

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide (CID 66229940) is 3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide is CC1(C)CS(=O)CC(C(F)(F)F)N1.
What is the InChIKey of 3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide?
The InChIKey is QGENNHNRLBEMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NOS/c1-6(2)4-13(12)3-5(11-6)7(8,9)10/h5,11H,3-4H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide?
3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide has a molecular weight of 215.24 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(trifluoromethyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66229940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).