1-morpholin-4-yl-3-phenylsulfanylpropan-1-one

C13H17NO2S — CID 875838

IUPAC1-morpholin-4-yl-3-phenylsulfanylpropan-1-one
SMILESO=C(CCSc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H17NO2S/c15-13(14-7-9-16-10-8-14)6-11-17-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeySEPCTLJXXVBBGY-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.03
Rot. Bonds4

About 1-morpholin-4-yl-3-phenylsulfanylpropan-1-one

1-morpholin-4-yl-3-phenylsulfanylpropan-1-one (PubChem CID 875838) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-phenylsulfanylpropan-1-one
PubChem CID875838
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name1-morpholin-4-yl-3-phenylsulfanylpropan-1-one
SMILESO=C(CCSc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H17NO2S/c15-13(14-7-9-16-10-8-14)6-11-17-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeySEPCTLJXXVBBGY-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-morpholin-4-yl-3-phenylsulfanylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-phenylsulfanylpropan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-phenylsulfanylpropan-1-one (CID 875838) is 1-morpholin-4-yl-3-phenylsulfanylpropan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-phenylsulfanylpropan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-phenylsulfanylpropan-1-one is O=C(CCSc1ccccc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-phenylsulfanylpropan-1-one?
The InChIKey is SEPCTLJXXVBBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c15-13(14-7-9-16-10-8-14)6-11-17-12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of 1-morpholin-4-yl-3-phenylsulfanylpropan-1-one?
1-morpholin-4-yl-3-phenylsulfanylpropan-1-one has a molecular weight of 251.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-phenylsulfanylpropan-1-one is sourced from PubChem (CID 875838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).