1-morpholin-4-yl-2-phenylsulfanylethanone

C12H15NO2S — CID 532039

IUPAC1-morpholin-4-yl-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCOCC1
InChIInChI=1S/C12H15NO2S/c14-12(13-6-8-15-9-7-13)10-16-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyNAMFKTBQSCMITK-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.64
Rot. Bonds3

About 1-morpholin-4-yl-2-phenylsulfanylethanone

1-morpholin-4-yl-2-phenylsulfanylethanone (PubChem CID 532039) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-phenylsulfanylethanone
PubChem CID532039
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name1-morpholin-4-yl-2-phenylsulfanylethanone
SMILESO=C(CSc1ccccc1)N1CCOCC1
InChIInChI=1S/C12H15NO2S/c14-12(13-6-8-15-9-7-13)10-16-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyNAMFKTBQSCMITK-UHFFFAOYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-phenylsulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-phenylsulfanylethanone (CID 532039) is 1-morpholin-4-yl-2-phenylsulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-phenylsulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-phenylsulfanylethanone is O=C(CSc1ccccc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-phenylsulfanylethanone?
The InChIKey is NAMFKTBQSCMITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-12(13-6-8-15-9-7-13)10-16-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 1-morpholin-4-yl-2-phenylsulfanylethanone?
1-morpholin-4-yl-2-phenylsulfanylethanone has a molecular weight of 237.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-phenylsulfanylethanone is sourced from PubChem (CID 532039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).