4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine

C15H23NO5S2 — CID 90592067

IUPAC4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H23NO5S2/c1-3-12-22(17,18)16-10-8-15(9-11-16)23(19,20)14-6-4-13(21-2)5-7-14/h4-7,15H,3,8-12H2,1-2H3
InChIKeyXEMVYJLNBDHBML-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.67
Rot. Bonds6

About 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine

4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine (PubChem CID 90592067) has the molecular formula C15H23NO5S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine
PubChem CID90592067
Molecular FormulaC15H23NO5S2
Molecular Weight361.49 g/mol
Exact Mass361.10
IUPAC Name4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H23NO5S2/c1-3-12-22(17,18)16-10-8-15(9-11-16)23(19,20)14-6-4-13(21-2)5-7-14/h4-7,15H,3,8-12H2,1-2H3
InChIKeyXEMVYJLNBDHBML-UHFFFAOYSA-N
XLogP1.67
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methoxyphenyl)ethylsulfonyl]-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592047
3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine
CID 90593675
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine
CID 90592057
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
1-(2-ethoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592043
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone
CID 90591711
3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine
CID 72718921
(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-propylsulfonylpiperidine
CID 124831728
4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 71809049
3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
CID 72718913
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592088

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine (CID 90592067) is 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine is CCCS(=O)(=O)N1CCC(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine?
The InChIKey is XEMVYJLNBDHBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S2/c1-3-12-22(17,18)16-10-8-15(9-11-16)23(19,20)14-6-4-13(21-2)5-7-14/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine?
4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine has a molecular weight of 361.49 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine is sourced from PubChem (CID 90592067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).