1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone

C15H21NO3S — CID 97223531

IUPAC1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone
SMILESCC[C@@H](c1ccccc1)[S@](=O)CC(=O)N1CCOCC1
InChIInChI=1S/C15H21NO3S/c1-2-14(13-6-4-3-5-7-13)20(18)12-15(17)16-8-10-19-11-9-16/h3-7,14H,2,8-12H2,1H3/t14-,20+/m0/s1
InChIKeyXWEXQRDGNPKHNI-VBKZILBWSA-N
MW295.40 g/mol
LogP1.75
Rot. Bonds5

About 1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone

1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone (PubChem CID 97223531) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone
PubChem CID97223531
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone
SMILESCC[C@@H](c1ccccc1)[S@](=O)CC(=O)N1CCOCC1
InChIInChI=1S/C15H21NO3S/c1-2-14(13-6-4-3-5-7-13)20(18)12-15(17)16-8-10-19-11-9-16/h3-7,14H,2,8-12H2,1H3/t14-,20+/m0/s1
InChIKeyXWEXQRDGNPKHNI-VBKZILBWSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone (CID 97223531) is 1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone is CC[C@@H](c1ccccc1)[S@](=O)CC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone?
The InChIKey is XWEXQRDGNPKHNI-VBKZILBWSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-2-14(13-6-4-3-5-7-13)20(18)12-15(17)16-8-10-19-11-9-16/h3-7,14H,2,8-12H2,1H3/t14-,20+/m0/s1.
What are the key properties of 1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone?
1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone has a molecular weight of 295.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(R)-[(1S)-1-phenylpropyl]sulfinyl]ethanone is sourced from PubChem (CID 97223531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).