N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide

C14H19FN2O2S — CID 119690841

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide
SMILESO=C(NCCSCc1ccccc1F)C1COCCN1
InChIInChI=1S/C14H19FN2O2S/c15-12-4-2-1-3-11(12)10-20-8-6-17-14(18)13-9-19-7-5-16-13/h1-4,13,16H,5-10H2,(H,17,18)
InChIKeyZJVUJOMIHYDPIH-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.16
Rot. Bonds6

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide (PubChem CID 119690841) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide
PubChem CID119690841
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide
SMILESO=C(NCCSCc1ccccc1F)C1COCCN1
InChIInChI=1S/C14H19FN2O2S/c15-12-4-2-1-3-11(12)10-20-8-6-17-14(18)13-9-19-7-5-16-13/h1-4,13,16H,5-10H2,(H,17,18)
InChIKeyZJVUJOMIHYDPIH-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.16
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

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CID 3236068
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cis-N-benzyl-5-(2-(methylthio)ethyl)-6-oxomorpholine-3-carboxamide
CID 44417195
(2R)-3-(2-aminoethylsulfanyl)-2-[1-(4-fluorophenyl)ethenylamino]-1-morpholin-4-ylpropan-1-one
CID 117865513
N-[2-(3-fluorophenyl)ethyl]-4-methylsulfanyl-2-(oxiran-2-ylmethylamino)butanamide
CID 137397670
N-[(2R)-1-(cyanomethylamino)-1-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-yl]morpholine-4-carboxamide
CID 142652335
(3R)-3-(2,2-dimethylpropoxy)-4-[2-[(2,4,5-trifluorophenyl)methylsulfanyl]acetyl]piperazin-2-one
CID 169914067
S-Benzylcysteinyl-glycinamid
CID 129635453
2-acetamido-N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 3431501
N-[3-(4-fluorophenyl)sulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 3969475
3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide
CID 4148314
3-[(2-fluorophenyl)methylsulfonyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 4148315

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide (CID 119690841) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide is O=C(NCCSCc1ccccc1F)C1COCCN1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide?
The InChIKey is ZJVUJOMIHYDPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c15-12-4-2-1-3-11(12)10-20-8-6-17-14(18)13-9-19-7-5-16-13/h1-4,13,16H,5-10H2,(H,17,18).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]morpholine-3-carboxamide has a molecular weight of 298.38 g/mol, XLogP of 1.16, 6 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]morpholine-3-carboxamide is sourced from PubChem (CID 119690841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).