N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide

C15H22N2O3S — CID 94017783

IUPACN-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)N[C@@H](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(19)7-13(16-12(3)18)14-5-4-6-21-14/h4-6,10-11,13H,7-9H2,1-3H3,(H,16,18)/t10-,11+,13-/m0/s1
InChIKeyPCZGGLYIKOWXDH-LOWVWBTDSA-N
MW310.42 g/mol
LogP1.95
Rot. Bonds4

About N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide

N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide (PubChem CID 94017783) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
PubChem CID94017783
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)N[C@@H](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(19)7-13(16-12(3)18)14-5-4-6-21-14/h4-6,10-11,13H,7-9H2,1-3H3,(H,16,18)/t10-,11+,13-/m0/s1
InChIKeyPCZGGLYIKOWXDH-LOWVWBTDSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide with MolForge

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Related Compounds

N-[(1R)-3-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 100905520
N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
CID 47017273
N-[(1R)-3-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 98752356
(4E)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-hydroxyimino-3-thiophen-2-ylpentan-1-one
CID 10804912
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 43422177
N-[(1R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684720
N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684724
N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide
CID 46575997
N-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 63079022
N-[(1S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 34729697
N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 42931938
N-[(1S)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 41430751

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide (CID 94017783) is N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide is CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cccs1.
What is the InChIKey of N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is PCZGGLYIKOWXDH-LOWVWBTDSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-8-17(9-11(2)20-10)15(19)7-13(16-12(3)18)14-5-4-6-21-14/h4-6,10-11,13H,7-9H2,1-3H3,(H,16,18)/t10-,11+,13-/m0/s1.
What are the key properties of N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide?
N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 94017783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).