(2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one

C10H8F3NOS — CID 2727803

IUPAC(2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one
SMILESC[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O
InChIInChI=1S/C10H8F3NOS/c1-5-9(15)14-7-4-6(10(11,12)13)2-3-8(7)16-5/h2-5H,1H3,(H,14,15)/t5-/m0/s1
InChIKeyFXZXGJIGRSODSM-YFKPBYRVSA-N
MW247.24 g/mol
LogP3.14
Rot. Bonds

About (2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one

(2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one (PubChem CID 2727803) has the molecular formula C10H8F3NOS and a molecular weight of 247.24 g/mol. Its IUPAC name is (2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name(2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one
PubChem CID2727803
Molecular FormulaC10H8F3NOS
Molecular Weight247.24 g/mol
Exact Mass247.03
IUPAC Name(2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one
SMILESC[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O
InChIInChI=1S/C10H8F3NOS/c1-5-9(15)14-7-4-6(10(11,12)13)2-3-8(7)16-5/h2-5H,1H3,(H,14,15)/t5-/m0/s1
InChIKeyFXZXGJIGRSODSM-YFKPBYRVSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one?
The IUPAC name of (2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one (CID 2727803) is (2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for (2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for (2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one is C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O.
What is the InChIKey of (2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one?
The InChIKey is FXZXGJIGRSODSM-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H8F3NOS/c1-5-9(15)14-7-4-6(10(11,12)13)2-3-8(7)16-5/h2-5H,1H3,(H,14,15)/t5-/m0/s1.
What are the key properties of (2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one?
(2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one has a molecular weight of 247.24 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-6-(trifluoromethyl)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 2727803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).