2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide

C14H19ClN2OS — CID 84758158

IUPAC2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide
SMILESCC1CN(C(C(N)=S)c2ccccc2Cl)CC(C)O1
InChIInChI=1S/C14H19ClN2OS/c1-9-7-17(8-10(2)18-9)13(14(16)19)11-5-3-4-6-12(11)15/h3-6,9-10,13H,7-8H2,1-2H3,(H2,16,19)
InChIKeyBCAYULCCQLBPPQ-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.78
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide

2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide (PubChem CID 84758158) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide
PubChem CID84758158
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide
SMILESCC1CN(C(C(N)=S)c2ccccc2Cl)CC(C)O1
InChIInChI=1S/C14H19ClN2OS/c1-9-7-17(8-10(2)18-9)13(14(16)19)11-5-3-4-6-12(11)15/h3-6,9-10,13H,7-8H2,1-2H3,(H2,16,19)
InChIKeyBCAYULCCQLBPPQ-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide?
The IUPAC name of 2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide (CID 84758158) is 2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide?
The canonical SMILES for 2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide is CC1CN(C(C(N)=S)c2ccccc2Cl)CC(C)O1.
What is the InChIKey of 2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide?
The InChIKey is BCAYULCCQLBPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-9-7-17(8-10(2)18-9)13(14(16)19)11-5-3-4-6-12(11)15/h3-6,9-10,13H,7-8H2,1-2H3,(H2,16,19).
What are the key properties of 2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide?
2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide has a molecular weight of 298.84 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanethioamide is sourced from PubChem (CID 84758158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).