N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide

C13H17FN2OS — CID 66420709

IUPACN-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESCc1cc(NC(=O)CC2CSCCN2)ccc1F
InChIInChI=1S/C13H17FN2OS/c1-9-6-10(2-3-12(9)14)16-13(17)7-11-8-18-5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyBTQYXGVQHCCJQI-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.17
Rot. Bonds3

About N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide

N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66420709) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66420709
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC NameN-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
SMILESCc1cc(NC(=O)CC2CSCCN2)ccc1F
InChIInChI=1S/C13H17FN2OS/c1-9-6-10(2-3-12(9)14)16-13(17)7-11-8-18-5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyBTQYXGVQHCCJQI-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-[3-(methanesulfonamido)-4-methylphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936303
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935518
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
2,2-dimethyl-N-[2-methyl-5-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119938998
N-(4-cyclobutyloxy-3-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 119940156
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938107
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide (CID 66420709) is N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide is Cc1cc(NC(=O)CC2CSCCN2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is BTQYXGVQHCCJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c1-9-6-10(2-3-12(9)14)16-13(17)7-11-8-18-5-4-15-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide?
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 268.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).