(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

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Related Compounds

4-[6-(Aminomethyl)pyridin-2-yl]-1lambda6-thiomorpholine-1,1-dione
CID 62286180
1-(Benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 162408406
N-methyl-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 71871108
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 71967926
N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]ethanesulfonamide
CID 75512698
6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine
CID 75524264
2-Methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 84600163
6-methyl-N-[[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 86773989
N-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]propyl]ethanesulfonamide
CID 86797174
N-ethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methanesulfonamide
CID 86797227
N-[(1,1-dioxothian-4-yl)methyl]-6-methylpyridin-2-amine
CID 86797304
6-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
CID 91660926

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).