3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one

C13H17NO4S — CID 772989

IUPAC3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCS(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H17NO4S/c15-13(14-7-9-18-10-8-14)6-11-19(16,17)12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyDZWQPWDLIMMCQG-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.71
Rot. Bonds4

About 3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one

3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 772989) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one
PubChem CID772989
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCS(=O)(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H17NO4S/c15-13(14-7-9-18-10-8-14)6-11-19(16,17)12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyDZWQPWDLIMMCQG-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one (CID 772989) is 3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one is O=C(CCS(=O)(=O)c1ccccc1)N1CCOCC1.
What is the InChIKey of 3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is DZWQPWDLIMMCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-13(14-7-9-18-10-8-14)6-11-19(16,17)12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of 3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one?
3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 283.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 772989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).