1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one

C14H18ClNO2S — CID 116586447

IUPAC1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one
SMILESCOc1ccc(Cl)cc1CC(=O)CC1CSCCN1
InChIInChI=1S/C14H18ClNO2S/c1-18-14-3-2-11(15)6-10(14)7-13(17)8-12-9-19-5-4-16-12/h2-3,6,12,16H,4-5,7-9H2,1H3
InChIKeyVFQQRDAVCVQWHE-UHFFFAOYSA-N
MW299.82 g/mol
LogP2.56
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one

1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one (PubChem CID 116586447) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one
PubChem CID116586447
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one
SMILESCOc1ccc(Cl)cc1CC(=O)CC1CSCCN1
InChIInChI=1S/C14H18ClNO2S/c1-18-14-3-2-11(15)6-10(14)7-13(17)8-12-9-19-5-4-16-12/h2-3,6,12,16H,4-5,7-9H2,1H3
InChIKeyVFQQRDAVCVQWHE-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557
1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 106871284
1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586600
1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586701
N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938692
2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide
CID 119938248
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938762
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421239
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one (CID 116586447) is 1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one is COc1ccc(Cl)cc1CC(=O)CC1CSCCN1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one?
The InChIKey is VFQQRDAVCVQWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c1-18-14-3-2-11(15)6-10(14)7-13(17)8-12-9-19-5-4-16-12/h2-3,6,12,16H,4-5,7-9H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one?
1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one has a molecular weight of 299.82 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one is sourced from PubChem (CID 116586447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).