(4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one

C15H22N2O3S — CID 10804912

IUPAC(4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one
SMILESC/C(=N\O)C(CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-10-8-17(9-11(2)20-10)15(18)7-13(12(3)16-19)14-5-4-6-21-14/h4-6,10-11,13,19H,7-9H2,1-3H3/b16-12+/t10-,11-,13?/m1/s1
InChIKeyMVLNXYHFLFWVHR-FPELCWDGSA-N
MW310.42 g/mol
LogP2.71
Rot. Bonds4

About (4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one

(4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one (PubChem CID 10804912) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one.

Molecular Properties

Compound Name(4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one
PubChem CID10804912
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one
SMILESC/C(=N\O)C(CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-10-8-17(9-11(2)20-10)15(18)7-13(12(3)16-19)14-5-4-6-21-14/h4-6,10-11,13,19H,7-9H2,1-3H3/b16-12+/t10-,11-,13?/m1/s1
InChIKeyMVLNXYHFLFWVHR-FPELCWDGSA-N
XLogP2.71
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 94017783
N-[(1R)-3-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 100905520
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 102934064
4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid
CID 82134004
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 102937552
3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
CID 71510686
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 102934265
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808159
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]ethanone
CID 40517805
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-1-one;hydrochloride
CID 120874141
N-[(1R)-3-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 98752356

Frequently Asked Questions

What is the IUPAC name of (4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one?
The IUPAC name of (4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one (CID 10804912) is (4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one.
What is the SMILES notation for (4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one?
The canonical SMILES for (4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one is C/C(=N\O)C(CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccs1.
What is the InChIKey of (4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one?
The InChIKey is MVLNXYHFLFWVHR-FPELCWDGSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-8-17(9-11(2)20-10)15(18)7-13(12(3)16-19)14-5-4-6-21-14/h4-6,10-11,13,19H,7-9H2,1-3H3/b16-12+/t10-,11-,13?/m1/s1.
What are the key properties of (4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one?
(4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one has a molecular weight of 310.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one is sourced from PubChem (CID 10804912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).