4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one

C13H17NO4S — CID 165482191

IUPAC4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one
SMILESCC(C)S(=O)(=O)c1ccccc1N1CCOCC1=O
InChIInChI=1S/C13H17NO4S/c1-10(2)19(16,17)12-6-4-3-5-11(12)14-7-8-18-9-13(14)15/h3-6,10H,7-9H2,1-2H3
InChIKeyGPYSYGGEWYBZQM-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.23
Rot. Bonds3

About 4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one

4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one (PubChem CID 165482191) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one
PubChem CID165482191
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one
SMILESCC(C)S(=O)(=O)c1ccccc1N1CCOCC1=O
InChIInChI=1S/C13H17NO4S/c1-10(2)19(16,17)12-6-4-3-5-11(12)14-7-8-18-9-13(14)15/h3-6,10H,7-9H2,1-2H3
InChIKeyGPYSYGGEWYBZQM-UHFFFAOYSA-N
XLogP1.23
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one?
The IUPAC name of 4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one (CID 165482191) is 4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one.
What is the SMILES notation for 4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one?
The canonical SMILES for 4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one is CC(C)S(=O)(=O)c1ccccc1N1CCOCC1=O.
What is the InChIKey of 4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one?
The InChIKey is GPYSYGGEWYBZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-10(2)19(16,17)12-6-4-3-5-11(12)14-7-8-18-9-13(14)15/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one?
4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one has a molecular weight of 283.35 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylsulfonylphenyl)morpholin-3-one is sourced from PubChem (CID 165482191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).