1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one

C16H22ClNO2S — CID 124618590

IUPAC1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one
SMILESCSCCCCC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C16H22ClNO2S/c1-21-10-3-2-7-16(19)18-8-9-20-15(12-18)13-5-4-6-14(17)11-13/h4-6,11,15H,2-3,7-10,12H2,1H3/t15-/m1/s1
InChIKeyCMABPMMLSDRUCL-OAHLLOKOSA-N
MW327.88 g/mol
LogP3.77
Rot. Bonds6

About 1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one

1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one (PubChem CID 124618590) has the molecular formula C16H22ClNO2S and a molecular weight of 327.88 g/mol. Its IUPAC name is 1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one
PubChem CID124618590
Molecular FormulaC16H22ClNO2S
Molecular Weight327.88 g/mol
Exact Mass327.11
IUPAC Name1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one
SMILESCSCCCCC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C16H22ClNO2S/c1-21-10-3-2-7-16(19)18-8-9-20-15(12-18)13-5-4-6-14(17)11-13/h4-6,11,15H,2-3,7-10,12H2,1H3/t15-/m1/s1
InChIKeyCMABPMMLSDRUCL-OAHLLOKOSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(3-chlorophenyl)morpholin-4-yl]-3-oxopropyl]acetamide
CID 110355151
1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110416762
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one
CID 110356623
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 146131766
1-[2-(3-chlorophenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110326972
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one
CID 110356643
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 121134473
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
1-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 124618430
7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119770399
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one?
The IUPAC name of 1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one (CID 124618590) is 1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one.
What is the SMILES notation for 1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one?
The canonical SMILES for 1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one is CSCCCCC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one?
The InChIKey is CMABPMMLSDRUCL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22ClNO2S/c1-21-10-3-2-7-16(19)18-8-9-20-15(12-18)13-5-4-6-14(17)11-13/h4-6,11,15H,2-3,7-10,12H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one?
1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one has a molecular weight of 327.88 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one is sourced from PubChem (CID 124618590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).