4-(4-propan-2-ylphenyl)sulfonylmorpholine

C13H19NO3S — CID 812402

IUPAC4-(4-propan-2-ylphenyl)sulfonylmorpholine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H19NO3S/c1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14/h3-6,11H,7-10H2,1-2H3
InChIKeyUUPIRRZKLHFLLE-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.83
Rot. Bonds3

About 4-(4-propan-2-ylphenyl)sulfonylmorpholine

4-(4-propan-2-ylphenyl)sulfonylmorpholine (PubChem CID 812402) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)sulfonylmorpholine
PubChem CID812402
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-(4-propan-2-ylphenyl)sulfonylmorpholine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H19NO3S/c1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14/h3-6,11H,7-10H2,1-2H3
InChIKeyUUPIRRZKLHFLLE-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-((4-Methylphenyl)sulphonyl)morpholine
CID 80645
Morpholine, 4-methylbenzenesulfonate (1:1)
CID 83691
2,6-Dimethyl-4-{[3-(trifluoromethyl)phenyl]sulfonyl}morpholine
CID 2818577
1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
4-[4-[2-(3-Fluorophenyl)ethynyl]phenyl]sulfonylmorpholine
CID 60210914
3-(Toluene-4-sulfonyl)-[1,3]oxazinane
CID 959536
4-(4-Fluoro-3-methylphenyl)sulfonylmorpholine
CID 977826
4-(4-Biphenylylsulfonyl)morpholine
CID 823364
4-(Naphthalene-2-sulfonyl)morpholine
CID 759798
4-{[2-(Trifluoromethyl)phenyl]sulfonyl}morpholine
CID 697921
4-Methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 801435
1-[(4-Tert-butylphenyl)sulfonyl]piperidine
CID 847755

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-propan-2-ylphenyl)sulfonylmorpholine (CID 812402) is 4-(4-propan-2-ylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-propan-2-ylphenyl)sulfonylmorpholine is CC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)sulfonylmorpholine?
The InChIKey is UUPIRRZKLHFLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylphenyl)sulfonylmorpholine?
4-(4-propan-2-ylphenyl)sulfonylmorpholine has a molecular weight of 269.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)sulfonylmorpholine is sourced from PubChem (CID 812402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).