1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine

C17H21NO2S2 — CID 90522191

IUPAC1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(c3cccs3)CC2)c1
InChIInChI=1S/C17H21NO2S2/c1-13-5-6-14(2)17(12-13)22(19,20)18-9-7-15(8-10-18)16-4-3-11-21-16/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyDJGWIEDQKNEVJD-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.93
Rot. Bonds3

About 1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine

1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine (PubChem CID 90522191) has the molecular formula C17H21NO2S2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine
PubChem CID90522191
Molecular FormulaC17H21NO2S2
Molecular Weight335.49 g/mol
Exact Mass335.10
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(c3cccs3)CC2)c1
InChIInChI=1S/C17H21NO2S2/c1-13-5-6-14(2)17(12-13)22(19,20)18-9-7-15(8-10-18)16-4-3-11-21-16/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyDJGWIEDQKNEVJD-UHFFFAOYSA-N
XLogP3.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
CID 131703855
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
2-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole
CID 30864223
1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597096
1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 110871203
1-(2-ethoxyphenyl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522211
7-(2-chlorophenyl)-4-(2,5-dimethylphenyl)sulfonyl-1,4-thiazepane
CID 90629925
1-(2,5-dimethylphenyl)sulfonyl-4-isocyanatopiperidine
CID 28941143
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 48737522
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
3-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 53130697
1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
CID 119961871

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine (CID 90522191) is 1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine is Cc1ccc(C)c(S(=O)(=O)N2CCC(c3cccs3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine?
The InChIKey is DJGWIEDQKNEVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S2/c1-13-5-6-14(2)17(12-13)22(19,20)18-9-7-15(8-10-18)16-4-3-11-21-16/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine?
1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine has a molecular weight of 335.49 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine is sourced from PubChem (CID 90522191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).