(4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone

C14H16N2O2S — CID 20920679

IUPAC(4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone
SMILESCN1C=C(C(=O)N2CCOCC2)Sc2ccccc21
InChIInChI=1S/C14H16N2O2S/c1-15-10-13(14(17)16-6-8-18-9-7-16)19-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3
InChIKeyVIEJLIVJWLPKLF-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.93
Rot. Bonds1

About (4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone

(4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone (PubChem CID 20920679) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is (4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone
PubChem CID20920679
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name(4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone
SMILESCN1C=C(C(=O)N2CCOCC2)Sc2ccccc21
InChIInChI=1S/C14H16N2O2S/c1-15-10-13(14(17)16-6-8-18-9-7-16)19-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3
InChIKeyVIEJLIVJWLPKLF-UHFFFAOYSA-N
XLogP1.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_66_one(8)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
CID 4933006
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
1-[2-(morpholine-4-carbonyl)phenyl]pyridin-2-one
CID 6425155
2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one
CID 16749998
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide
CID 110121883
2-(morpholine-4-carbonyl)benzonitrile
CID 11378923
4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide
CID 35328091
(2-hydroxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 162422305
ethyl 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate
CID 15945097
2-methyl-1-(10-methylphenothiazin-2-yl)-2-morpholin-4-ylpropan-1-one
CID 19879415

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone (CID 20920679) is (4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone is CN1C=C(C(=O)N2CCOCC2)Sc2ccccc21.
What is the InChIKey of (4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is VIEJLIVJWLPKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-15-10-13(14(17)16-6-8-18-9-7-16)19-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3.
What are the key properties of (4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone?
(4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 276.36 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 20920679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).