3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine

C15H24N2O2S — CID 63871954

IUPAC3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CC(C)NC(C)C2)cc1
InChIInChI=1S/C15H24N2O2S/c1-4-5-14-6-8-15(9-7-14)20(18,19)17-10-12(2)16-13(3)11-17/h6-9,12-13,16H,4-5,10-11H2,1-3H3
InChIKeyWWFZVPKLTZDEHA-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.01
Rot. Bonds4

About 3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine

3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine (PubChem CID 63871954) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
PubChem CID63871954
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
SMILESCCCc1ccc(S(=O)(=O)N2CC(C)NC(C)C2)cc1
InChIInChI=1S/C15H24N2O2S/c1-4-5-14-6-8-15(9-7-14)20(18,19)17-10-12(2)16-13(3)11-17/h6-9,12-13,16H,4-5,10-11H2,1-3H3
InChIKeyWWFZVPKLTZDEHA-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)sulfonyl-3,5-dimethylpiperazine;hydrochloride
CID 119980583
4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120585465
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 63872528
3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride
CID 119980534
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119980481
1-(4-ethylphenyl)sulfonyl-3-methylpiperazine
CID 65449390
3-bromo-1-(4-propylphenyl)sulfonylpiperidine
CID 80676471
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 79180625

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine?
The IUPAC name of 3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine (CID 63871954) is 3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine.
What is the SMILES notation for 3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine?
The canonical SMILES for 3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine is CCCc1ccc(S(=O)(=O)N2CC(C)NC(C)C2)cc1.
What is the InChIKey of 3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine?
The InChIKey is WWFZVPKLTZDEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-5-14-6-8-15(9-7-14)20(18,19)17-10-12(2)16-13(3)11-17/h6-9,12-13,16H,4-5,10-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine?
3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine has a molecular weight of 296.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine is sourced from PubChem (CID 63871954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).