N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide

C15H22N2O2S — CID 2105521

IUPACN-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C15H22N2O2S/c18-15(13-20-14-5-2-1-3-6-14)16-7-4-8-17-9-11-19-12-10-17/h1-3,5-6H,4,7-13H2,(H,16,18)
InChIKeyYPZAKHVNWDYQMU-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.62
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide

N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide (PubChem CID 2105521) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide
PubChem CID2105521
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C15H22N2O2S/c18-15(13-20-14-5-2-1-3-6-14)16-7-4-8-17-9-11-19-12-10-17/h1-3,5-6H,4,7-13H2,(H,16,18)
InChIKeyYPZAKHVNWDYQMU-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide (CID 2105521) is N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide?
The InChIKey is YPZAKHVNWDYQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-15(13-20-14-5-2-1-3-6-14)16-7-4-8-17-9-11-19-12-10-17/h1-3,5-6H,4,7-13H2,(H,16,18).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide?
N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide has a molecular weight of 294.42 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2105521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).