4-(2-methoxy-5-methylphenyl)sulfonylmorpholine

C12H17NO4S — CID 775521

IUPAC4-(2-methoxy-5-methylphenyl)sulfonylmorpholine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H17NO4S/c1-10-3-4-11(16-2)12(9-10)18(14,15)13-5-7-17-8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyFKALZNSPRDHAKU-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.02
Rot. Bonds3

About 4-(2-methoxy-5-methylphenyl)sulfonylmorpholine

4-(2-methoxy-5-methylphenyl)sulfonylmorpholine (PubChem CID 775521) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)sulfonylmorpholine
PubChem CID775521
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name4-(2-methoxy-5-methylphenyl)sulfonylmorpholine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H17NO4S/c1-10-3-4-11(16-2)12(9-10)18(14,15)13-5-7-17-8-6-13/h3-4,9H,5-8H2,1-2H3
InChIKeyFKALZNSPRDHAKU-UHFFFAOYSA-N
XLogP1.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Bis[(2-methoxy-5-methylphenyl)sulfonyl]-2-methylpiperazine
CID 2897110
4-(3-Methoxyphenylsulfonyl)morpholine
CID 890650
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)-4-methylpiperazine
CID 650490
4-(2,5-Diethoxyphenyl)sulfonylmorpholine
CID 778396
4-(2-Ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine
CID 850074
1-(5-Tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine
CID 934666
4-[(2-Ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]morpholine
CID 935156
N-[2-(1-cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 967893
2-Methoxy-5,N-dimethyl-N-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-benzenesulfonamide
CID 1095811
4-[(5-Tert-butyl-2-ethoxyphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2968838
1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 8777959

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)sulfonylmorpholine (CID 775521) is 4-(2-methoxy-5-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)sulfonylmorpholine is COc1ccc(C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)sulfonylmorpholine?
The InChIKey is FKALZNSPRDHAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-10-3-4-11(16-2)12(9-10)18(14,15)13-5-7-17-8-6-13/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-(2-methoxy-5-methylphenyl)sulfonylmorpholine?
4-(2-methoxy-5-methylphenyl)sulfonylmorpholine has a molecular weight of 271.34 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 775521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).