3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine

C15H24N2O2S — CID 62585382

IUPAC3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine
SMILESCCCS(=O)(=O)c1ccccc1N1CC(C)NC(C)C1
InChIInChI=1S/C15H24N2O2S/c1-4-9-20(18,19)15-8-6-5-7-14(15)17-10-12(2)16-13(3)11-17/h5-8,12-13,16H,4,9-11H2,1-3H3
InChIKeyANPGBYNZPNHUKU-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.06
Rot. Bonds4

About 3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine

3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine (PubChem CID 62585382) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine
PubChem CID62585382
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine
SMILESCCCS(=O)(=O)c1ccccc1N1CC(C)NC(C)C1
InChIInChI=1S/C15H24N2O2S/c1-4-9-20(18,19)15-8-6-5-7-14(15)17-10-12(2)16-13(3)11-17/h5-8,12-13,16H,4,9-11H2,1-3H3
InChIKeyANPGBYNZPNHUKU-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 114961634
1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol
CID 106837320
4-(1-bromoethyl)-1-(2-propylsulfonylphenyl)piperidine
CID 106838640
3-(2-bromoethyl)-1-(2-propylsulfonylphenyl)pyrrolidine
CID 114800733
N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 61204074
1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine
CID 63852987
1-(2-ethylsulfonylphenyl)-4-methylpyrrolidin-3-amine
CID 103577492
3-(2-chloroethyl)-1-(2-propylsulfonylphenyl)piperidine
CID 63390486
1-(2-chloroethyl)-4-(2-propylsulfonylphenyl)piperazine
CID 63392531
4-hydroxy-1-(2-propylsulfonylphenyl)pyrrolidine-2-carboxylic acid
CID 43453608
2-(chloromethyl)-3-methyl-1-(2-propylsulfonylphenyl)pyrrolidine
CID 102785770
(3S,4S)-1-(2-ethylsulfonylphenyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122064007

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine?
The IUPAC name of 3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine (CID 62585382) is 3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine.
What is the SMILES notation for 3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine?
The canonical SMILES for 3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine is CCCS(=O)(=O)c1ccccc1N1CC(C)NC(C)C1.
What is the InChIKey of 3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine?
The InChIKey is ANPGBYNZPNHUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-9-20(18,19)15-8-6-5-7-14(15)17-10-12(2)16-13(3)11-17/h5-8,12-13,16H,4,9-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine?
3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine has a molecular weight of 296.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine is sourced from PubChem (CID 62585382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).