1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine

C21H27NO4S — CID 110357844

IUPAC1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(OC)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H27NO4S/c1-16-15-19(25-2)9-10-20(16)27(23,24)22-13-11-18(12-14-22)21(26-3)17-7-5-4-6-8-17/h4-10,15,18,21H,11-14H2,1-3H3
InChIKeyNWXYFOOXDUSIML-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.79
Rot. Bonds6

About 1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine

1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine (PubChem CID 110357844) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine
PubChem CID110357844
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Name1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(OC)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H27NO4S/c1-16-15-19(25-2)9-10-20(16)27(23,24)22-13-11-18(12-14-22)21(26-3)17-7-5-4-6-8-17/h4-10,15,18,21H,11-14H2,1-3H3
InChIKeyNWXYFOOXDUSIML-UHFFFAOYSA-N
XLogP3.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 113075257
4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 171678466
4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110420735
4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110358902
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
CID 113076150
4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 90589883
4-[methoxy(phenyl)methyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine
CID 110357854
1-[1-(2-bromo-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974856
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
CID 110658354
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 119981951

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine (CID 110357844) is 1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine is COc1ccc(S(=O)(=O)N2CCC(C(OC)c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine?
The InChIKey is NWXYFOOXDUSIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-16-15-19(25-2)9-10-20(16)27(23,24)22-13-11-18(12-14-22)21(26-3)17-7-5-4-6-8-17/h4-10,15,18,21H,11-14H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine?
1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine has a molecular weight of 389.52 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine is sourced from PubChem (CID 110357844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).