1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone

C13H16FNOS — CID 116586513

IUPAC1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone
SMILESCc1cc(F)cc(C(=O)CC2CSCCN2)c1
InChIInChI=1S/C13H16FNOS/c1-9-4-10(6-11(14)5-9)13(16)7-12-8-17-3-2-15-12/h4-6,12,15H,2-3,7-8H2,1H3
InChIKeyWLYWXPUZPWVPBE-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.41
Rot. Bonds3

About 1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone

1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone (PubChem CID 116586513) has the molecular formula C13H16FNOS and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone
PubChem CID116586513
Molecular FormulaC13H16FNOS
Molecular Weight253.34 g/mol
Exact Mass253.09
IUPAC Name1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone
SMILESCc1cc(F)cc(C(=O)CC2CSCCN2)c1
InChIInChI=1S/C13H16FNOS/c1-9-4-10(6-11(14)5-9)13(16)7-12-8-17-3-2-15-12/h4-6,12,15H,2-3,7-8H2,1H3
InChIKeyWLYWXPUZPWVPBE-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586667
1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586505
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586592
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide
CID 119937530
1-(3-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylethanone
CID 116586621
1-(3-cyclobutylphenyl)-2-thiomorpholin-3-ylethanone
CID 114607644
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiomorpholin-3-ylethanone
CID 116586568
1-quinolin-3-yl-2-thiomorpholin-3-ylethanone
CID 116586477
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66422087

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone (CID 116586513) is 1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone is Cc1cc(F)cc(C(=O)CC2CSCCN2)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone?
The InChIKey is WLYWXPUZPWVPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNOS/c1-9-4-10(6-11(14)5-9)13(16)7-12-8-17-3-2-15-12/h4-6,12,15H,2-3,7-8H2,1H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone?
1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone has a molecular weight of 253.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 116586513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).