1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one

C14H18ClNOS — CID 106871284

IUPAC1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one
SMILESCc1ccc(CC(=O)CC2CSCCN2)c(Cl)c1
InChIInChI=1S/C14H18ClNOS/c1-10-2-3-11(14(15)6-10)7-13(17)8-12-9-18-5-4-16-12/h2-3,6,12,16H,4-5,7-9H2,1H3
InChIKeyJHMACTWILWRUTF-UHFFFAOYSA-N
MW283.82 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one

1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one (PubChem CID 106871284) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one
PubChem CID106871284
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one
SMILESCc1ccc(CC(=O)CC2CSCCN2)c(Cl)c1
InChIInChI=1S/C14H18ClNOS/c1-10-2-3-11(14(15)6-10)7-13(17)8-12-9-18-5-4-16-12/h2-3,6,12,16H,4-5,7-9H2,1H3
InChIKeyJHMACTWILWRUTF-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586447
1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586600
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557
1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586701
2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609447
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940167
1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586576
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940162
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82906287
1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586513

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one (CID 106871284) is 1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one is Cc1ccc(CC(=O)CC2CSCCN2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one?
The InChIKey is JHMACTWILWRUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-10-2-3-11(14(15)6-10)7-13(17)8-12-9-18-5-4-16-12/h2-3,6,12,16H,4-5,7-9H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one?
1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one has a molecular weight of 283.82 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one is sourced from PubChem (CID 106871284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).