4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide

C10H10F3NO2S — CID 102173722

IUPAC4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
SMILESCC1CNS(=O)(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H10F3NO2S/c1-6-5-14-17(15,16)9-3-2-7(4-8(6)9)10(11,12)13/h2-4,6,14H,5H2,1H3
InChIKeyIXLJESUFUWFCPX-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.10
Rot. Bonds

About 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide

4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide (PubChem CID 102173722) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
PubChem CID102173722
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
SMILESCC1CNS(=O)(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H10F3NO2S/c1-6-5-14-17(15,16)9-3-2-7(4-8(6)9)10(11,12)13/h2-4,6,14H,5H2,1H3
InChIKeyIXLJESUFUWFCPX-UHFFFAOYSA-N
XLogP2.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The IUPAC name of 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide (CID 102173722) is 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide is CC1CNS(=O)(=O)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
The InChIKey is IXLJESUFUWFCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c1-6-5-14-17(15,16)9-3-2-7(4-8(6)9)10(11,12)13/h2-4,6,14H,5H2,1H3.
What are the key properties of 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide?
4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide has a molecular weight of 265.26 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide is sourced from PubChem (CID 102173722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).