2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide

C6H10F3NO2S — CID 66243298

IUPAC2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
SMILESCC1CNC(C(F)(F)F)CS1(=O)=O
InChIInChI=1S/C6H10F3NO2S/c1-4-2-10-5(6(7,8)9)3-13(4,11)12/h4-5,10H,2-3H2,1H3
InChIKeyNAMOTUDGLZTFOA-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.32
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide

2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 66243298) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID66243298
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
SMILESCC1CNC(C(F)(F)F)CS1(=O)=O
InChIInChI=1S/C6H10F3NO2S/c1-4-2-10-5(6(7,8)9)3-13(4,11)12/h4-5,10H,2-3H2,1H3
InChIKeyNAMOTUDGLZTFOA-UHFFFAOYSA-N
XLogP0.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-1,4-thiazinane 1,1-dioxide;hydrochloride
CID 13898293
3-Methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75525602
(3R)-3-methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 137935491
(3S)-3-methyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 137957889
Thiomorpholine, 3-methyl-, 1,1-dioxide
CID 14953855
2-Methylthiomorpholine 1,1-dioxide
CID 14953860
N-methyltetrahydro-2H-thiopyran-4-amine 1,1-dioxide
CID 43511407
2,6-Dimethylthiomorpholine 1,1-dioxide
CID 61795481
4-(Trifluoromethylsulfonyl)piperidine
CID 66596407
N-Ethyl-3-[(3,3,3-trifluoropropyl)sulphonyl]propane-1-amine
CID 86696811
N-methyl-3-[(3,3,3-trifluoropropyl)sulphonyl]propane-1-amine
CID 86696859
N-propyl-3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine
CID 88547157

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide (CID 66243298) is 2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide is CC1CNC(C(F)(F)F)CS1(=O)=O.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is NAMOTUDGLZTFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-4-2-10-5(6(7,8)9)3-13(4,11)12/h4-5,10H,2-3H2,1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 217.21 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66243298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).