1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone

C17H23ClN2O4S — CID 87042020

IUPAC1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
SMILESCN(CC(=O)N1CCOC(c2ccc(Cl)cc2)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H23ClN2O4S/c1-19(15-6-9-25(22,23)12-15)11-17(21)20-7-8-24-16(10-20)13-2-4-14(18)5-3-13/h2-5,15-16H,6-12H2,1H3
InChIKeyCGBRVRAXXRMVQC-UHFFFAOYSA-N
MW386.90 g/mol
LogP1.36
Rot. Bonds4

About 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone (PubChem CID 87042020) has the molecular formula C17H23ClN2O4S and a molecular weight of 386.90 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
PubChem CID87042020
Molecular FormulaC17H23ClN2O4S
Molecular Weight386.90 g/mol
Exact Mass386.11
IUPAC Name1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
SMILESCN(CC(=O)N1CCOC(c2ccc(Cl)cc2)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H23ClN2O4S/c1-19(15-6-9-25(22,23)12-15)11-17(21)20-7-8-24-16(10-20)13-2-4-14(18)5-3-13/h2-5,15-16H,6-12H2,1H3
InChIKeyCGBRVRAXXRMVQC-UHFFFAOYSA-N
XLogP1.36
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
1-(azepan-1-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 109001842
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111430703
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
CID 95197348
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 56757034
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 94005516
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone (CID 87042020) is 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone is CN(CC(=O)N1CCOC(c2ccc(Cl)cc2)C1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
The InChIKey is CGBRVRAXXRMVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4S/c1-19(15-6-9-25(22,23)12-15)11-17(21)20-7-8-24-16(10-20)13-2-4-14(18)5-3-13/h2-5,15-16H,6-12H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone?
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone has a molecular weight of 386.90 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone is sourced from PubChem (CID 87042020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).