1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one

C18H24ClNO4S — CID 55947771

IUPAC1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one
SMILESO=C(CCS(=O)(=O)C1CCCC1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H24ClNO4S/c19-15-7-5-14(6-8-15)17-13-20(10-11-24-17)18(21)9-12-25(22,23)16-3-1-2-4-16/h5-8,16-17H,1-4,9-13H2
InChIKeyQAXHVJPEUJXOIK-UHFFFAOYSA-N
MW385.91 g/mol
LogP2.99
Rot. Bonds5

About 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one

1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one (PubChem CID 55947771) has the molecular formula C18H24ClNO4S and a molecular weight of 385.91 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one
PubChem CID55947771
Molecular FormulaC18H24ClNO4S
Molecular Weight385.91 g/mol
Exact Mass385.11
IUPAC Name1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one
SMILESO=C(CCS(=O)(=O)C1CCCC1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H24ClNO4S/c19-15-7-5-14(6-8-15)17-13-20(10-11-24-17)18(21)9-12-25(22,23)16-3-1-2-4-16/h5-8,16-17H,1-4,9-13H2
InChIKeyQAXHVJPEUJXOIK-UHFFFAOYSA-N
XLogP2.99
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110356660
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
CID 95197348
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703
3-(2-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]propan-1-one
CID 55947512
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111430703
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one?
The IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one (CID 55947771) is 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one is O=C(CCS(=O)(=O)C1CCCC1)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one?
The InChIKey is QAXHVJPEUJXOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO4S/c19-15-7-5-14(6-8-15)17-13-20(10-11-24-17)18(21)9-12-25(22,23)16-3-1-2-4-16/h5-8,16-17H,1-4,9-13H2.
What are the key properties of 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one?
1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one has a molecular weight of 385.91 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-cyclopentylsulfonylpropan-1-one is sourced from PubChem (CID 55947771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).