6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one

C10H12N2O2S — CID 82494635

IUPAC6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one
SMILESNCCOc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C10H12N2O2S/c11-3-4-14-7-1-2-9-8(5-7)12-10(13)6-15-9/h1-2,5H,3-4,6,11H2,(H,12,13)
InChIKeyOLDAICGPSKNRBE-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.07
Rot. Bonds3

About 6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one

6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one (PubChem CID 82494635) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one
PubChem CID82494635
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one
SMILESNCCOc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C10H12N2O2S/c11-3-4-14-7-1-2-9-8(5-7)12-10(13)6-15-9/h1-2,5H,3-4,6,11H2,(H,12,13)
InChIKeyOLDAICGPSKNRBE-UHFFFAOYSA-N
XLogP1.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-octoxy-4H-1,4-benzothiazin-3-one
CID 45257676
6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one
CID 82494432
(4-ethoxyphenyl) 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 26686340
6-(4-aminobutan-2-yl)-4H-1,4-benzothiazin-3-one
CID 82496859
6-[(2-aminoethylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115195329
6-[amino(sulfanyl)methyl]-4H-1,4-benzothiazin-3-one
CID 116939513
6-(1,2-diaminopropan-2-yl)-4H-1,4-benzothiazin-3-one
CID 116855616
6-iodo-4H-1,4-benzothiazin-3-one
CID 90281504
6-(sulfanylmethylamino)-4H-1,4-benzothiazin-3-one
CID 115227650
6-[(3-aminopropylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115197218
N-[3-(2-methoxyethoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55879605
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55662714

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one (CID 82494635) is 6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one is NCCOc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one?
The InChIKey is OLDAICGPSKNRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c11-3-4-14-7-1-2-9-8(5-7)12-10(13)6-15-9/h1-2,5H,3-4,6,11H2,(H,12,13).
What are the key properties of 6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one?
6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one has a molecular weight of 224.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethoxy)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 82494635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).