(1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide

C8H14F3NOS — CID 129348335

IUPAC(1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide
SMILESCC1(C)C[S@@](=O)CCN1CC(F)(F)F
InChIInChI=1S/C8H14F3NOS/c1-7(2)6-14(13)4-3-12(7)5-8(9,10)11/h3-6H2,1-2H3/t14-/m0/s1
InChIKeyCHISOTAHVKUJGO-AWEZNQCLSA-N
MW229.27 g/mol
LogP1.39
Rot. Bonds1

About (1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide

(1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide (PubChem CID 129348335) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is (1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name(1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide
PubChem CID129348335
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name(1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide
SMILESCC1(C)C[S@@](=O)CCN1CC(F)(F)F
InChIInChI=1S/C8H14F3NOS/c1-7(2)6-14(13)4-3-12(7)5-8(9,10)11/h3-6H2,1-2H3/t14-/m0/s1
InChIKeyCHISOTAHVKUJGO-AWEZNQCLSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide?
The IUPAC name of (1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide (CID 129348335) is (1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for (1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for (1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide is CC1(C)C[S@@](=O)CCN1CC(F)(F)F.
What is the InChIKey of (1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide?
The InChIKey is CHISOTAHVKUJGO-AWEZNQCLSA-N. The full InChI is InChI=1S/C8H14F3NOS/c1-7(2)6-14(13)4-3-12(7)5-8(9,10)11/h3-6H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide?
(1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide has a molecular weight of 229.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-dimethyl-4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 129348335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).