2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone

C13H17NOS — CID 116609599

IUPAC2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone
SMILESCc1ccccc1CC(=O)C1CSCCN1
InChIInChI=1S/C13H17NOS/c1-10-4-2-3-5-11(10)8-13(15)12-9-16-7-6-14-12/h2-5,12,14H,6-9H2,1H3
InChIKeyWEHXJVGGCGVPEE-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.81
Rot. Bonds3

About 2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone

2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone (PubChem CID 116609599) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone
PubChem CID116609599
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone
SMILESCc1ccccc1CC(=O)C1CSCCN1
InChIInChI=1S/C13H17NOS/c1-10-4-2-3-5-11(10)8-13(15)12-9-16-7-6-14-12/h2-5,12,14H,6-9H2,1H3
InChIKeyWEHXJVGGCGVPEE-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609666
2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609502
2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609447
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone
CID 54573694
2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609601
2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609723
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide
CID 82916802
N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82905900
2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone
CID 130857171
2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609657

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone?
The IUPAC name of 2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone (CID 116609599) is 2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone is Cc1ccccc1CC(=O)C1CSCCN1.
What is the InChIKey of 2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone?
The InChIKey is WEHXJVGGCGVPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-10-4-2-3-5-11(10)8-13(15)12-9-16-7-6-14-12/h2-5,12,14H,6-9H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone?
2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone has a molecular weight of 235.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone is sourced from PubChem (CID 116609599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).