N-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide

C14H20N2O2S — CID 24588594

IUPACN-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide
SMILESCSc1ccccc1NC(=O)CCN1CCOCC1
InChIInChI=1S/C14H20N2O2S/c1-19-13-5-3-2-4-12(13)15-14(17)6-7-16-8-10-18-11-9-16/h2-5H,6-11H2,1H3,(H,15,17)
InChIKeyXDYAPXIVXPFXLC-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.07
Rot. Bonds5

About N-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide

N-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide (PubChem CID 24588594) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide
PubChem CID24588594
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide
SMILESCSc1ccccc1NC(=O)CCN1CCOCC1
InChIInChI=1S/C14H20N2O2S/c1-19-13-5-3-2-4-12(13)15-14(17)6-7-16-8-10-18-11-9-16/h2-5H,6-11H2,1H3,(H,15,17)
InChIKeyXDYAPXIVXPFXLC-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide (CID 24588594) is N-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide is CSc1ccccc1NC(=O)CCN1CCOCC1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide?
The InChIKey is XDYAPXIVXPFXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-19-13-5-3-2-4-12(13)15-14(17)6-7-16-8-10-18-11-9-16/h2-5H,6-11H2,1H3,(H,15,17).
What are the key properties of N-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide?
N-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide has a molecular weight of 280.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 24588594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).