(2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide

C11H13F3N2O2S — CID 97308421

IUPAC(2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
SMILESC[C@H]1CN(c2cccc(C(F)(F)F)n2)CCS1(=O)=O
InChIInChI=1S/C11H13F3N2O2S/c1-8-7-16(5-6-19(8,17)18)10-4-2-3-9(15-10)11(12,13)14/h2-4,8H,5-7H2,1H3/t8-/m0/s1
InChIKeyBIVUOBLTOJJUBT-QMMMGPOBSA-N
MW294.30 g/mol
LogP1.72
Rot. Bonds1

About (2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide

(2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 97308421) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is (2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
PubChem CID97308421
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name(2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
SMILESC[C@H]1CN(c2cccc(C(F)(F)F)n2)CCS1(=O)=O
InChIInChI=1S/C11H13F3N2O2S/c1-8-7-16(5-6-19(8,17)18)10-4-2-3-9(15-10)11(12,13)14/h2-4,8H,5-7H2,1H3/t8-/m0/s1
InChIKeyBIVUOBLTOJJUBT-QMMMGPOBSA-N
XLogP1.72
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide (CID 97308421) is (2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide is C[C@H]1CN(c2cccc(C(F)(F)F)n2)CCS1(=O)=O.
What is the InChIKey of (2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is BIVUOBLTOJJUBT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-8-7-16(5-6-19(8,17)18)10-4-2-3-9(15-10)11(12,13)14/h2-4,8H,5-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
(2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 294.30 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 97308421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).