(1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide

C14H19F3N2O2S — CID 97232371

IUPAC(1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide
SMILESCC1(C)CN(Cc2ccc(OCC(F)(F)F)nc2)CC[S@]1=O
InChIInChI=1S/C14H19F3N2O2S/c1-13(2)9-19(5-6-22(13)20)8-11-3-4-12(18-7-11)21-10-14(15,16)17/h3-4,7H,5-6,8-10H2,1-2H3/t22-/m1/s1
InChIKeyGYHXKDARVCWEKO-JOCHJYFZSA-N
MW336.38 g/mol
LogP2.37
Rot. Bonds4

About (1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide

(1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide (PubChem CID 97232371) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide
PubChem CID97232371
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC Name(1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide
SMILESCC1(C)CN(Cc2ccc(OCC(F)(F)F)nc2)CC[S@]1=O
InChIInChI=1S/C14H19F3N2O2S/c1-13(2)9-19(5-6-22(13)20)8-11-3-4-12(18-7-11)21-10-14(15,16)17/h3-4,7H,5-6,8-10H2,1-2H3/t22-/m1/s1
InChIKeyGYHXKDARVCWEKO-JOCHJYFZSA-N
XLogP2.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide with MolForge

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Related Compounds

1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
CID 126752868
[4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol
CID 110009271
5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 162562842
3-methylsulfanyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 142326740
1-ethyl-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111393771
N-methyl-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid
CID 175100046
4-(pyridin-3-ylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 55743974
(2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine
CID 96542411
2-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]ethanol
CID 174765316
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
CID 91641613
5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid
CID 122055040
(1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide
CID 97350145

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide?
The IUPAC name of (1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide (CID 97232371) is (1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for (1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for (1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide is CC1(C)CN(Cc2ccc(OCC(F)(F)F)nc2)CC[S@]1=O.
What is the InChIKey of (1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide?
The InChIKey is GYHXKDARVCWEKO-JOCHJYFZSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c1-13(2)9-19(5-6-22(13)20)8-11-3-4-12(18-7-11)21-10-14(15,16)17/h3-4,7H,5-6,8-10H2,1-2H3/t22-/m1/s1.
What are the key properties of (1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide?
(1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide has a molecular weight of 336.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 97232371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).