3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione

C14H16N2O3S — CID 3780799

IUPAC3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione
SMILESO=c1sc2ccccc2c(=O)n1CCN1CCOCC1
InChIInChI=1S/C14H16N2O3S/c17-13-11-3-1-2-4-12(11)20-14(18)16(13)6-5-15-7-9-19-10-8-15/h1-4H,5-10H2
InChIKeyZEYJFPZTXYHGKO-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.76
Rot. Bonds3

About 3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione

3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione (PubChem CID 3780799) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione
PubChem CID3780799
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione
SMILESO=c1sc2ccccc2c(=O)n1CCN1CCOCC1
InChIInChI=1S/C14H16N2O3S/c17-13-11-3-1-2-4-12(11)20-14(18)16(13)6-5-15-7-9-19-10-8-15/h1-4H,5-10H2
InChIKeyZEYJFPZTXYHGKO-UHFFFAOYSA-N
XLogP0.76
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione with MolForge

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Related Compounds

3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid
CID 82364898
2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one
CID 88598251
1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione
CID 46223528
4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine
CID 170870860
10-(2-morpholin-4-ylethyl)benzo[b][1,8]naphthyridin-5-one
CID 10267337
3-methyl-1-(2-piperidin-1-ylethyl)-[1]benzothiolo[2,3-b]pyrazin-2-one
CID 10336576
2-[3-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
CID 4885742
2-(2-morpholin-4-ylethyl)-1,2-benzoselenazol-3-one;2-(3-morpholin-4-ylpropyl)-1,2-benzoselenazol-3-one
CID 157135766
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3142178
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione (CID 3780799) is 3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione is O=c1sc2ccccc2c(=O)n1CCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione?
The InChIKey is ZEYJFPZTXYHGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-13-11-3-1-2-4-12(11)20-14(18)16(13)6-5-15-7-9-19-10-8-15/h1-4H,5-10H2.
What are the key properties of 3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione?
3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione has a molecular weight of 292.36 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione is sourced from PubChem (CID 3780799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).