N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide

C15H21FN2OS2 — CID 119935568

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCSCc1ccccc1F
InChIInChI=1S/C15H21FN2OS2/c16-14-4-2-1-3-12(14)10-20-8-6-18-15(19)9-13-11-21-7-5-17-13/h1-4,13,17H,5-11H2,(H,18,19)
InChIKeyOGBZOKLUSLTHNJ-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.27
Rot. Bonds7

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

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119935568) has the molecular formula C15H21FN2OS2 and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119935568
Molecular FormulaC15H21FN2OS2
Molecular Weight328.48 g/mol
Exact Mass328.11
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCCSCc1ccccc1F
InChIInChI=1S/C15H21FN2OS2/c16-14-4-2-1-3-12(14)10-20-8-6-18-15(19)9-13-11-21-7-5-17-13/h1-4,13,17H,5-11H2,(H,18,19)
InChIKeyOGBZOKLUSLTHNJ-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-fluorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119936755
N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
CID 119941694
N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119938875
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 99969880
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940864
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119937303
N-[2-(N-methylanilino)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940895
N-[2-(2-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371407
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119939474

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide (CID 119935568) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCCSCc1ccccc1F.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is OGBZOKLUSLTHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS2/c16-14-4-2-1-3-12(14)10-20-8-6-18-15(19)9-13-11-21-7-5-17-13/h1-4,13,17H,5-11H2,(H,18,19).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 328.48 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119935568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).