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

C15H23NO4S — CID 747368

IUPAC4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H23NO4S/c1-11(2)13-10-15(14(19-4)9-12(13)3)21(17,18)16-5-7-20-8-6-16/h9-11H,5-8H2,1-4H3
InChIKeyGBQGUGHQERYZSH-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.15
Rot. Bonds4

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

4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine (PubChem CID 747368) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
PubChem CID747368
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H23NO4S/c1-11(2)13-10-15(14(19-4)9-12(13)3)21(17,18)16-5-7-20-8-6-16/h9-11H,5-8H2,1-4H3
InChIKeyGBQGUGHQERYZSH-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-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1085521
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669807
1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
CID 71671530
2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide
CID 3132631
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
2-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 2059852
1-(2,5-dichlorophenyl)-4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 1289983
4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine
CID 13458319
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 120709113
2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride
CID 50876030
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6458543

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine (CID 747368) is 4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine is COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine?
The InChIKey is GBQGUGHQERYZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11(2)13-10-15(14(19-4)9-12(13)3)21(17,18)16-5-7-20-8-6-16/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine?
4-(2-methoxy-4-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-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine is sourced from PubChem (CID 747368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).