4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine

C15H23NO4S — CID 847895

IUPAC4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C(C)C
InChIInChI=1S/C15H23NO4S/c1-11(2)13-10-15(12(3)9-14(13)19-4)21(17,18)16-5-7-20-8-6-16/h9-11H,5-8H2,1-4H3
InChIKeyVTLKDIZFPMAZSG-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.15
Rot. Bonds4

About 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine

4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine (PubChem CID 847895) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
PubChem CID847895
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C(C)C
InChIInChI=1S/C15H23NO4S/c1-11(2)13-10-15(12(3)9-14(13)19-4)21(17,18)16-5-7-20-8-6-16/h9-11H,5-8H2,1-4H3
InChIKeyVTLKDIZFPMAZSG-UHFFFAOYSA-N
XLogP2.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 899243
1-(4-Ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
CID 976573
4-Methoxy-2,3,5-trimethyl-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 4914479
1-[1-(4-Methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627888
4-[(4-Methoxy-1-naphthyl)sulfonyl]morpholine
CID 723649
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 850044
4-(2-Ethoxy-5-propan-2-ylphenyl)sulfonylmorpholine
CID 850074
4-[(2-Ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]morpholine
CID 935156
4-(4-Methoxy-2,3,5-trimethylbenzenesulfonyl)morpholine
CID 1085542
Methyl 2,3,5-trimethyl-4-(4-morpholinylsulfonyl)phenyl ether
CID 1085560

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine (CID 847895) is 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine is COc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C(C)C.
What is the InChIKey of 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine?
The InChIKey is VTLKDIZFPMAZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11(2)13-10-15(12(3)9-14(13)19-4)21(17,18)16-5-7-20-8-6-16/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine?
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine has a molecular weight of 313.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylmorpholine is sourced from PubChem (CID 847895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).