3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide

C14H20N2O2S — CID 7922331

IUPAC3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCSCCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O2S/c1-19-11-6-14(17)15-12-2-4-13(5-3-12)16-7-9-18-10-8-16/h2-5H,6-11H2,1H3,(H,15,17)
InChIKeyMKHZXDKHPRXUTQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.21
Rot. Bonds5

About 3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide

3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 7922331) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID7922331
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCSCCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O2S/c1-19-11-6-14(17)15-12-2-4-13(5-3-12)16-7-9-18-10-8-16/h2-5H,6-11H2,1H3,(H,15,17)
InChIKeyMKHZXDKHPRXUTQ-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide (CID 7922331) is 3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide is CSCCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is MKHZXDKHPRXUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-19-11-6-14(17)15-12-2-4-13(5-3-12)16-7-9-18-10-8-16/h2-5H,6-11H2,1H3,(H,15,17).
What are the key properties of 3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide?
3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 280.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 7922331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).