(3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol

C13H19NO3S — CID 84641352

IUPAC(3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol
SMILESCc1cc(C)c2c(c1)S(=O)(=O)C(CO)C(C)N2C
InChIInChI=1S/C13H19NO3S/c1-8-5-9(2)13-11(6-8)18(16,17)12(7-15)10(3)14(13)4/h5-6,10,12,15H,7H2,1-4H3
InChIKeyAEHJHZNZVCHNNJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.28
Rot. Bonds1

About (3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol

(3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol (PubChem CID 84641352) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol.

Molecular Properties

Compound Name(3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol
PubChem CID84641352
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol
SMILESCc1cc(C)c2c(c1)S(=O)(=O)C(CO)C(C)N2C
InChIInChI=1S/C13H19NO3S/c1-8-5-9(2)13-11(6-8)18(16,17)12(7-15)10(3)14(13)4/h5-6,10,12,15H,7H2,1-4H3
InChIKeyAEHJHZNZVCHNNJ-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carbonitrile
CID 84639503
2-(3,4,5-trimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)acetonitrile
CID 84639494
(3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine
CID 84640902
5-bromo-3,4,7-trimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carbonitrile
CID 84646292
2-(4,5,7-trimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-3-yl)acetonitrile
CID 84639504
3,4,5,7-tetramethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid
CID 84634383
4-methyl-1,1-dioxo-2-(2,4,6-trimethylphenyl)-1,2-thiazolidin-3-one
CID 82092284
2,4,5-trimethyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 20749003
3-(5-bromo-2,7-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propanoic acid
CID 84646998
CID 162469513
CID 162469513
(7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine
CID 84637031
3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one
CID 84627553

Frequently Asked Questions

What is the IUPAC name of (3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol?
The IUPAC name of (3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol (CID 84641352) is (3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol.
What is the SMILES notation for (3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol?
The canonical SMILES for (3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol is Cc1cc(C)c2c(c1)S(=O)(=O)C(CO)C(C)N2C.
What is the InChIKey of (3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol?
The InChIKey is AEHJHZNZVCHNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-8-5-9(2)13-11(6-8)18(16,17)12(7-15)10(3)14(13)4/h5-6,10,12,15H,7H2,1-4H3.
What are the key properties of (3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol?
(3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol has a molecular weight of 269.37 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol is sourced from PubChem (CID 84641352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).