2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone

C12H13Cl2NOS — CID 116609447

IUPAC2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)C1CSCCN1
InChIInChI=1S/C12H13Cl2NOS/c13-9-2-1-8(10(14)6-9)5-12(16)11-7-17-4-3-15-11/h1-2,6,11,15H,3-5,7H2
InChIKeyDAMDHWGHTKNFAI-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.81
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone

2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone (PubChem CID 116609447) has the molecular formula C12H13Cl2NOS and a molecular weight of 290.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone
PubChem CID116609447
Molecular FormulaC12H13Cl2NOS
Molecular Weight290.21 g/mol
Exact Mass289.01
IUPAC Name2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)C1CSCCN1
InChIInChI=1S/C12H13Cl2NOS/c13-9-2-1-8(10(14)6-9)5-12(16)11-7-17-4-3-15-11/h1-2,6,11,15H,3-5,7H2
InChIKeyDAMDHWGHTKNFAI-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609601
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482
2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088261
2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609666
2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone
CID 116609599
2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609502
1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 106871284
2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone
CID 80621705
2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone
CID 54573694
N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263497
1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586447
2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone
CID 130857171

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone (CID 116609447) is 2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone is O=C(Cc1ccc(Cl)cc1Cl)C1CSCCN1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone?
The InChIKey is DAMDHWGHTKNFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NOS/c13-9-2-1-8(10(14)6-9)5-12(16)11-7-17-4-3-15-11/h1-2,6,11,15H,3-5,7H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone?
2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone has a molecular weight of 290.21 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone is sourced from PubChem (CID 116609447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).