(3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine

C11H15NS — CID 177471247

IUPAC(3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine
SMILESC[C@H]1Nc2ccccc2SC1(C)C
InChIInChI=1S/C11H15NS/c1-8-11(2,3)13-10-7-5-4-6-9(10)12-8/h4-8,12H,1-3H3/t8-/m1/s1
InChIKeyQHNOZNZWDWAMFY-MRVPVSSYSA-N
MW193.31 g/mol
LogP3.37
Rot. Bonds

About (3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine

(3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine (PubChem CID 177471247) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is (3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name(3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine
PubChem CID177471247
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name(3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine
SMILESC[C@H]1Nc2ccccc2SC1(C)C
InChIInChI=1S/C11H15NS/c1-8-11(2,3)13-10-7-5-4-6-9(10)12-8/h4-8,12H,1-3H3/t8-/m1/s1
InChIKeyQHNOZNZWDWAMFY-MRVPVSSYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-2,2-dimethyl-3,4-dihydro-1,4-benzothiazine-3-carbonitrile
CID 131092083
2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 13293492
2,2-dimethyl-4,5-dihydro-3H-1,5-benzothiazepin-3-amine
CID 90037239
2,3,3-trimethyl-1,2-dihydroindole
CID 10942760
ethane;2-methyl-2,3-dihydro-1,3-benzothiazole
CID 145235335
4'-methylspiro[3H-1,3-benzothiazole-2,1'-cyclohexane]
CID 778034
2-(2,3-dihydro-1,3-benzothiazol-2-yldisulfanyl)-2,3-dihydro-1,3-benzothiazole;ethane
CID 91078039
2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole
CID 143479628
2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one
CID 13293493
(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
CID 92543565
(2R)-2-phenyl-2,3-dihydro-1,3-benzothiazole
CID 92935373
(3S,4R)-4-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-ol
CID 15504087

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine?
The IUPAC name of (3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine (CID 177471247) is (3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine.
What is the SMILES notation for (3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine?
The canonical SMILES for (3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine is C[C@H]1Nc2ccccc2SC1(C)C.
What is the InChIKey of (3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine?
The InChIKey is QHNOZNZWDWAMFY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8-11(2,3)13-10-7-5-4-6-9(10)12-8/h4-8,12H,1-3H3/t8-/m1/s1.
What are the key properties of (3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine?
(3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine has a molecular weight of 193.31 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine is sourced from PubChem (CID 177471247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).