4-Benzylsulfonylmorpholine

C11H15NO3S — CID 4467524

IUPAC4-benzylsulfonylmorpholine
SMILESC1COCCN1S(=O)(=O)CC2=CC=CC=C2
InChIInChI=1S/C11H15NO3S/c13-16(14,12-6-8-15-9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyAKEVUEIPRSYBGZ-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.60
Rot. Bonds3

About 4-Benzylsulfonylmorpholine

4-Benzylsulfonylmorpholine (PubChem CID 4467524) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-benzylsulfonylmorpholine.

Molecular Properties

Compound Name4-Benzylsulfonylmorpholine
PubChem CID4467524
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-benzylsulfonylmorpholine
SMILESC1COCCN1S(=O)(=O)CC2=CC=CC=C2
InChIInChI=1S/C11H15NO3S/c13-16(14,12-6-8-15-9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyAKEVUEIPRSYBGZ-UHFFFAOYSA-N
XLogP0.60
TPSA55.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity298

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-((4-Methylphenyl)sulphonyl)morpholine
CID 80645
1-Phenylmethanesulfonyl-piperidine
CID 273955
4-(2-Phenyl-ethenesulfonyl)-morpholine
CID 1144752
4-(Phenylsulfonyl)morpholine
CID 95050
2-(Benzylsulfonyl)-1-(morpholin-4-yl)ethanone
CID 284483
4-(4-Fluoro-3-methylphenyl)sulfonylmorpholine
CID 977826
4-{[2-(Trifluoromethyl)phenyl]sulfonyl}morpholine
CID 697921
2-(Morpholine-4-sulfonyl)benzonitrile
CID 698000
4-(Morpholine-4-sulfonyl)benzonitrile
CID 4132823
4-(Benzylsulfonyl)-2,6-dimethylmorpholine
CID 2853675
4-[(1E)-2-(3-Bromophenyl)ethenesulfonyl]morpholine
CID 767424
4-(4-Isopropyl-benzenesulfonyl)-morpholine
CID 812402

Frequently Asked Questions

What is the IUPAC name of 4-Benzylsulfonylmorpholine?
The IUPAC name of 4-Benzylsulfonylmorpholine (CID 4467524) is 4-benzylsulfonylmorpholine.
What is the SMILES notation for 4-Benzylsulfonylmorpholine?
The canonical SMILES for 4-Benzylsulfonylmorpholine is C1COCCN1S(=O)(=O)CC2=CC=CC=C2.
What is the InChIKey of 4-Benzylsulfonylmorpholine?
The InChIKey is AKEVUEIPRSYBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-16(14,12-6-8-15-9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 4-Benzylsulfonylmorpholine?
4-Benzylsulfonylmorpholine has a molecular weight of 241.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Benzylsulfonylmorpholine is sourced from PubChem (CID 4467524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).