(2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one

C21H22N2O3S — CID 52534743

IUPAC(2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
SMILESC[C@@H]1CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C21H22N2O3S/c1-14-12-23(13-17(26-14)15-7-3-2-4-8-15)20(24)11-19-21(25)22-16-9-5-6-10-18(16)27-19/h2-10,14,17,19H,11-13H2,1H3,(H,22,25)/t14-,17+,19-/m1/s1
InChIKeyNPFCTGZEILYKIQ-DKSSEZFCSA-N
MW382.49 g/mol
LogP3.48
Rot. Bonds3

About (2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one

(2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one (PubChem CID 52534743) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is (2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name(2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
PubChem CID52534743
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name(2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
SMILESC[C@@H]1CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C21H22N2O3S/c1-14-12-23(13-17(26-14)15-7-3-2-4-8-15)20(24)11-19-21(25)22-16-9-5-6-10-18(16)27-19/h2-10,14,17,19H,11-13H2,1H3,(H,22,25)/t14-,17+,19-/m1/s1
InChIKeyNPFCTGZEILYKIQ-DKSSEZFCSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 4079849
2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 47800081
(2S)-2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 9414352
(2R)-2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 95579769
5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95772464
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 51325809
ethyl 1-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]piperidine-4-carboxylate
CID 51162080
(2S)-2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 8642377
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
(2R)-2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 25353914
2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 55843835
5-[2-oxo-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-1,3-thiazolidine-2,4-dione
CID 126465385

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of (2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one (CID 52534743) is (2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for (2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for (2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one is C[C@@H]1CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C[C@@H](c2ccccc2)O1.
What is the InChIKey of (2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is NPFCTGZEILYKIQ-DKSSEZFCSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-12-23(13-17(26-14)15-7-3-2-4-8-15)20(24)11-19-21(25)22-16-9-5-6-10-18(16)27-19/h2-10,14,17,19H,11-13H2,1H3,(H,22,25)/t14-,17+,19-/m1/s1.
What are the key properties of (2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
(2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 382.49 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 52534743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).