1-(4-propylsulfonylphenyl)piperazine

C13H20N2O2S — CID 7148681

IUPAC1-(4-propylsulfonylphenyl)piperazine
SMILESCCCS(=O)(=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-2-11-18(16,17)13-5-3-12(4-6-13)15-9-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3
InChIKeyLOQBIDIUNQNBFQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.28
Rot. Bonds4

About 1-(4-propylsulfonylphenyl)piperazine

1-(4-propylsulfonylphenyl)piperazine (PubChem CID 7148681) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(4-propylsulfonylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-propylsulfonylphenyl)piperazine
PubChem CID7148681
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(4-propylsulfonylphenyl)piperazine
SMILESCCCS(=O)(=O)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-2-11-18(16,17)13-5-3-12(4-6-13)15-9-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3
InChIKeyLOQBIDIUNQNBFQ-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloroethyl)-4-(4-propylsulfonylphenyl)piperazine
CID 63392530
2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol
CID 61151230
3-(4-propylsulfonylphenyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314595
4-(1,4-diazepan-1-yl)-N-ethylbenzenesulfonamide
CID 43453924
1-(4-propylsulfonylphenyl)azetidin-3-amine
CID 63759620
3-bromo-1-(4-propylsulfonylphenyl)pyrrolidine
CID 80667428
3-methyl-1-(4-propylsulfonylphenyl)pyrrolidin-3-ol
CID 103357771
4-(4-piperazin-1-ylphenyl)benzenesulfonyl chloride
CID 121464193
4-propylsulfonylbenzenesulfonic acid
CID 163962227
3-(2-bromoethyl)-1-(4-propylsulfonylphenyl)pyrrolidine
CID 114800832
(3aS,6aS)-1-(4-propylsulfonylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43599181
[4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 114961731

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylsulfonylphenyl)piperazine?
The IUPAC name of 1-(4-propylsulfonylphenyl)piperazine (CID 7148681) is 1-(4-propylsulfonylphenyl)piperazine.
What is the SMILES notation for 1-(4-propylsulfonylphenyl)piperazine?
The canonical SMILES for 1-(4-propylsulfonylphenyl)piperazine is CCCS(=O)(=O)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-(4-propylsulfonylphenyl)piperazine?
The InChIKey is LOQBIDIUNQNBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-11-18(16,17)13-5-3-12(4-6-13)15-9-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 1-(4-propylsulfonylphenyl)piperazine?
1-(4-propylsulfonylphenyl)piperazine has a molecular weight of 268.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylsulfonylphenyl)piperazine is sourced from PubChem (CID 7148681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).