2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone

C15H21NO2S — CID 99855759

IUPAC2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone
SMILESCSCCN1CCOC[C@@H]1CC(=O)c1ccccc1
InChIInChI=1S/C15H21NO2S/c1-19-10-8-16-7-9-18-12-14(16)11-15(17)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/t14-/m0/s1
InChIKeyUQYBYCVCUKOTRM-AWEZNQCLSA-N
MW279.40 g/mol
LogP2.32
Rot. Bonds6

About 2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone

2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone (PubChem CID 99855759) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone
PubChem CID99855759
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone
SMILESCSCCN1CCOC[C@@H]1CC(=O)c1ccccc1
InChIInChI=1S/C15H21NO2S/c1-19-10-8-16-7-9-18-12-14(16)11-15(17)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/t14-/m0/s1
InChIKeyUQYBYCVCUKOTRM-AWEZNQCLSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone
CID 86796786
1-(4-methylphenyl)-4-[(3S)-3-phenacylmorpholin-4-yl]butane-1,4-dione
CID 97320578
2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone
CID 75426197
1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone
CID 97320577
(2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one
CID 97320552
1-(3-phenacylmorpholin-4-yl)-2-pyrazol-1-ylpropan-1-one
CID 75426175
3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one
CID 97320572
2-[4-(2-ethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-1-phenylethanone
CID 75426196
2-[(3R)-4-(3-hydroxypropyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99579369
3-[[2-[4-(2-phenylethyl)morpholin-3-yl]acetyl]amino]benzamide
CID 56914703
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone
CID 124740066

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone?
The IUPAC name of 2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone (CID 99855759) is 2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone?
The canonical SMILES for 2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone is CSCCN1CCOC[C@@H]1CC(=O)c1ccccc1.
What is the InChIKey of 2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone?
The InChIKey is UQYBYCVCUKOTRM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-19-10-8-16-7-9-18-12-14(16)11-15(17)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone?
2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone has a molecular weight of 279.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone is sourced from PubChem (CID 99855759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).