2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

C15H21N3O2S — CID 114395295

IUPAC2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESNCC1CN(CC(=O)N2CCSc3ccccc32)CCO1
InChIInChI=1S/C15H21N3O2S/c16-9-12-10-17(5-7-20-12)11-15(19)18-6-8-21-14-4-2-1-3-13(14)18/h1-4,12H,5-11,16H2
InChIKeyUOJFAZVGZYXFKK-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.78
Rot. Bonds3

About 2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (PubChem CID 114395295) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
PubChem CID114395295
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
SMILESNCC1CN(CC(=O)N2CCSc3ccccc32)CCO1
InChIInChI=1S/C15H21N3O2S/c16-9-12-10-17(5-7-20-12)11-15(19)18-6-8-21-14-4-2-1-3-13(14)18/h1-4,12H,5-11,16H2
InChIKeyUOJFAZVGZYXFKK-UHFFFAOYSA-N
XLogP0.78
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 103898182
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 104975373
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847
7-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)heptan-1-one
CID 61260595
2-[2-(aminomethyl)piperidin-1-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone;hydrochloride
CID 119916227
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110167306
2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-[(2R,5S)-2,5-dimethylmorpholin-4-yl]butane-1,4-dione
CID 95345074
6-(2,3-dihydro-1,4-benzothiazin-4-yl)-6-oxohexanoic acid
CID 43579785
[4-(2-phenylprop-2-enyl)morpholin-2-yl]methanamine
CID 114399002
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-morpholin-4-ylethyl)-4-oxobutanamide
CID 20899600
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 102630668

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone (CID 114395295) is 2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is NCC1CN(CC(=O)N2CCSc3ccccc32)CCO1.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
The InChIKey is UOJFAZVGZYXFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c16-9-12-10-17(5-7-20-12)11-15(19)18-6-8-21-14-4-2-1-3-13(14)18/h1-4,12H,5-11,16H2.
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone?
2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone has a molecular weight of 307.42 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone is sourced from PubChem (CID 114395295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).