7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one

C14H19NO2S — CID 84615347

IUPAC7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one
SMILESCC(C)CN1C(=O)CSc2cc(C(C)O)ccc21
InChIInChI=1S/C14H19NO2S/c1-9(2)7-15-12-5-4-11(10(3)16)6-13(12)18-8-14(15)17/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyWOYHAWXMTQBVLA-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.83
Rot. Bonds3

About 7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one

7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one (PubChem CID 84615347) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one
PubChem CID84615347
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one
SMILESCC(C)CN1C(=O)CSc2cc(C(C)O)ccc21
InChIInChI=1S/C14H19NO2S/c1-9(2)7-15-12-5-4-11(10(3)16)6-13(12)18-8-14(15)17/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyWOYHAWXMTQBVLA-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2H-1,4-Benzothiazine-2-methanol, 3,4-dihydro-4-ethyl-alpha-phenyl-, hydrochloride
CID 24835394
10H-phenothiazine-3-methanol, 10-methyl-
CID 638533
(N-hexylphenothiazine-3-yl)methanol
CID 44239570
Cyclobutyl-[7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1,4-benzothiazin-4-yl]methanone
CID 16661344
1-[7-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]-2-methylpropan-1-one
CID 16661497
1-[7-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-2-methylpropan-1-one
CID 16661498
1-[7-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-2-phenylethanone
CID 16661647
1-[(2S)-2-ethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1,4-benzothiazin-4-yl]-4-methylpentan-1-one
CID 16661649
methyl 4-[(2S)-2-ethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1,4-benzothiazin-4-yl]-4-oxobutanoate
CID 16661650
3-cyclohexyl-1-[(2S)-2-ethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1,4-benzothiazin-4-yl]propan-1-one
CID 16661651
1-[(2S)-2-ethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1,4-benzothiazin-4-yl]-2,2-dimethylpropan-1-one
CID 16661813
3-cyclopentyl-1-[(2S)-2-ethyl-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3-dihydro-1,4-benzothiazin-4-yl]propan-1-one
CID 58857168

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one?
The IUPAC name of 7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one (CID 84615347) is 7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one?
The canonical SMILES for 7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one is CC(C)CN1C(=O)CSc2cc(C(C)O)ccc21.
What is the InChIKey of 7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one?
The InChIKey is WOYHAWXMTQBVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-9(2)7-15-12-5-4-11(10(3)16)6-13(12)18-8-14(15)17/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of 7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one?
7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one has a molecular weight of 265.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxyethyl)-4-(2-methylpropyl)-1,4-benzothiazin-3-one is sourced from PubChem (CID 84615347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).