1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one

C17H22ClNO4S — CID 110356643

IUPAC1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one
SMILESO=C(CCC1CCS(=O)(=O)C1)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C17H22ClNO4S/c18-15-3-1-2-14(10-15)16-11-19(7-8-23-16)17(20)5-4-13-6-9-24(21,22)12-13/h1-3,10,13,16H,4-9,11-12H2
InChIKeyISASGZXZXQTKNI-UHFFFAOYSA-N
MW371.89 g/mol
LogP2.45
Rot. Bonds4

About 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one

1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one (PubChem CID 110356643) has the molecular formula C17H22ClNO4S and a molecular weight of 371.89 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one
PubChem CID110356643
Molecular FormulaC17H22ClNO4S
Molecular Weight371.89 g/mol
Exact Mass371.10
IUPAC Name1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one
SMILESO=C(CCC1CCS(=O)(=O)C1)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C17H22ClNO4S/c18-15-3-1-2-14(10-15)16-11-19(7-8-23-16)17(20)5-4-13-6-9-24(21,22)12-13/h1-3,10,13,16H,4-9,11-12H2
InChIKeyISASGZXZXQTKNI-UHFFFAOYSA-N
XLogP2.45
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one with MolForge

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Related Compounds

1-(2-chlorophenyl)-4-[2-(3-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110416762
1-[(2S)-2-(3-chlorophenyl)morpholin-4-yl]-5-methylsulfanylpentan-1-one
CID 124618590
N-[3-[2-(3-chlorophenyl)morpholin-4-yl]-3-oxopropyl]acetamide
CID 110355151
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(furan-2-yl)propan-1-one
CID 110356623
3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one
CID 121134464
1-[2-(3-chlorophenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110326972
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 146131766
1-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 124618430
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 87042020
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 121134473

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one?
The IUPAC name of 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one (CID 110356643) is 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one is O=C(CCC1CCS(=O)(=O)C1)N1CCOC(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one?
The InChIKey is ISASGZXZXQTKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO4S/c18-15-3-1-2-14(10-15)16-11-19(7-8-23-16)17(20)5-4-13-6-9-24(21,22)12-13/h1-3,10,13,16H,4-9,11-12H2.
What are the key properties of 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one?
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one has a molecular weight of 371.89 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one is sourced from PubChem (CID 110356643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).