1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one

C13H17NO4S — CID 39382906

IUPAC1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one
SMILESCCC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H17NO4S/c1-2-13(15)11-4-3-5-12(10-11)19(16,17)14-6-8-18-9-7-14/h3-5,10H,2,6-9H2,1H3
InChIKeyYHMIDGGGCZYPLI-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.30
Rot. Bonds4

About 1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one

1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one (PubChem CID 39382906) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one
PubChem CID39382906
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one
SMILESCCC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H17NO4S/c1-2-13(15)11-4-3-5-12(10-11)19(16,17)14-6-8-18-9-7-14/h3-5,10H,2,6-9H2,1H3
InChIKeyYHMIDGGGCZYPLI-UHFFFAOYSA-N
XLogP1.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one?
The IUPAC name of 1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one (CID 39382906) is 1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one.
What is the SMILES notation for 1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one?
The canonical SMILES for 1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one is CCC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one?
The InChIKey is YHMIDGGGCZYPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-2-13(15)11-4-3-5-12(10-11)19(16,17)14-6-8-18-9-7-14/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one?
1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one has a molecular weight of 283.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylsulfonylphenyl)propan-1-one is sourced from PubChem (CID 39382906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).