4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine

C15H23NO4S — CID 850074

IUPAC4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H23NO4S/c1-4-20-14-6-5-13(12(2)3)11-15(14)21(17,18)16-7-9-19-10-8-16/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyUTKLFCYTBLMXAG-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.23
Rot. Bonds5

About 4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine

4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine (PubChem CID 850074) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine
PubChem CID850074
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H23NO4S/c1-4-20-14-6-5-13(12(2)3)11-15(14)21(17,18)16-7-9-19-10-8-16/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyUTKLFCYTBLMXAG-UHFFFAOYSA-N
XLogP2.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-isopropyl-2-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 4565916
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)-4-methylpiperazine
CID 650490
4-[(6-Ethoxy-2-naphthyl)sulfonyl]morpholine
CID 786092
1-(5-Tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine
CID 934666
4-[(2-Ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]morpholine
CID 935156
4-[(5-Tert-butyl-2-ethoxyphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2968838
2-methoxy-5-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 747985
4-[(2-Methoxy-5-methylphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2933021
4-[(5-Isopropyl-4-methoxy-2-methylphenyl)sulfonyl]morpholine
CID 847895
4-(2-Methoxy-5-methylbenzenesulfonyl)morpholine
CID 775521
4-[(3-Isopropyl-4-methoxyphenyl)sulfonyl]morpholine
CID 971646

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine (CID 850074) is 4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine is CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine?
The InChIKey is UTKLFCYTBLMXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-20-14-6-5-13(12(2)3)11-15(14)21(17,18)16-7-9-19-10-8-16/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine?
4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine has a molecular weight of 313.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine is sourced from PubChem (CID 850074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).