4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine

C14H21NO4S — CID 971646

IUPAC4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(C)C
InChIInChI=1S/C14H21NO4S/c1-11(2)13-10-12(4-5-14(13)18-3)20(16,17)15-6-8-19-9-7-15/h4-5,10-11H,6-9H2,1-3H3
InChIKeySUTKDTGVHVMSKL-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.84
Rot. Bonds4

About 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine

4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine (PubChem CID 971646) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine
PubChem CID971646
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(C)C
InChIInChI=1S/C14H21NO4S/c1-11(2)13-10-12(4-5-14(13)18-3)20(16,17)15-6-8-19-9-7-15/h4-5,10-11H,6-9H2,1-3H3
InChIKeySUTKDTGVHVMSKL-UHFFFAOYSA-N
XLogP1.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
CID 976573
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
4-[(4-Methoxy-1-naphthyl)sulfonyl]morpholine
CID 723649
1-[(3-Isopropyl-4-methoxyphenyl)sulfonyl]pyrrolidine
CID 850045
4-(2-Ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine
CID 850074
4-[(2-Ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]morpholine
CID 935156
4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 2224391
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2231172
4-[(5-Tert-butyl-2-ethoxyphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2968838
N-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 127041244
Methyl [2-methyl-4-(morpholin-4-ylsulfonyl)phenoxy]acetate
CID 972838
4-(4-Methoxy-2,3,5-trimethylbenzenesulfonyl)morpholine
CID 1085542

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine (CID 971646) is 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(C)C.
What is the InChIKey of 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine?
The InChIKey is SUTKDTGVHVMSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11(2)13-10-12(4-5-14(13)18-3)20(16,17)15-6-8-19-9-7-15/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine?
4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine has a molecular weight of 299.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylmorpholine is sourced from PubChem (CID 971646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).