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

C11H13F3N2O2S — CID 84600163

IUPAC2-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
SMILESCC1CN(c2cc(C(F)(F)F)ccn2)CCS1(=O)=O
InChIInChI=1S/C11H13F3N2O2S/c1-8-7-16(4-5-19(8,17)18)10-6-9(2-3-15-10)11(12,13)14/h2-3,6,8H,4-5,7H2,1H3
InChIKeyCHARFBBJPQISIV-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.72
Rot. Bonds1

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

2-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 84600163) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
PubChem CID84600163
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name2-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
SMILESCC1CN(c2cc(C(F)(F)F)ccn2)CCS1(=O)=O
InChIInChI=1S/C11H13F3N2O2S/c1-8-7-16(4-5-19(8,17)18)10-6-9(2-3-15-10)11(12,13)14/h2-3,6,8H,4-5,7H2,1H3
InChIKeyCHARFBBJPQISIV-UHFFFAOYSA-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

1-(4-Methylbenzenesulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484979
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
Arylsulfonylpiperazine, 6
CID 44237014
1-[(2,6-Difluorophenyl)methylsulfonyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 24744154
Arylsulfonylpiperazine, 11
CID 44237018
N-(4-methylpyridin-2-yl)-1-phenylmethanesulfonamide
CID 743631
9-Methylsulfonyl-2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane
CID 3235321
1-{2-[(4-Methylphenyl)sulfonyl]ethyl}-4-(2-pyridinyl)piperazine
CID 2810705
1-Propylsulfonyl-4-(2-pyridinyl)piperazine
CID 888610
(R)-1-(5-(difluoromethyl)pyridin-2-yl)-2-isopropyl-4-(3-(methylsulfonyl)phenyl)piperazine
CID 137554431
3-Methylsulfonyl-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane
CID 3232781
7-Methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3234846

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide (CID 84600163) is 2-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide is CC1CN(c2cc(C(F)(F)F)ccn2)CCS1(=O)=O.
What is the InChIKey of 2-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is CHARFBBJPQISIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-8-7-16(4-5-19(8,17)18)10-6-9(2-3-15-10)11(12,13)14/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 2-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
2-methyl-4-[4-(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 2-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 84600163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).