N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide

C14H19FN2OS — CID 66422615

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CC1CSCCN1
InChIInChI=1S/C14H19FN2OS/c1-17(9-11-4-2-3-5-13(11)15)14(18)8-12-10-19-7-6-16-12/h2-5,12,16H,6-10H2,1H3
InChIKeyWHOGPBDEFGTOKQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.88
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide

N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide (PubChem CID 66422615) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
PubChem CID66422615
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CC1CSCCN1
InChIInChI=1S/C14H19FN2OS/c1-17(9-11-4-2-3-5-13(11)15)14(18)8-12-10-19-7-6-16-12/h2-5,12,16H,6-10H2,1H3
InChIKeyWHOGPBDEFGTOKQ-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-[(2-fluorophenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82905900
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940858
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119936231
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-ethyl-N-(2-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66422086
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-(furan-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422882
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422444
N-[1-(2-fluorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119936755
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935303

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide (CID 66422615) is N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide is CN(Cc1ccccc1F)C(=O)CC1CSCCN1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is WHOGPBDEFGTOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-17(9-11-4-2-3-5-13(11)15)14(18)8-12-10-19-7-6-16-12/h2-5,12,16H,6-10H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 282.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).