1-(1-phenylethyl)-4-propylsulfonylpiperazine

C15H24N2O2S — CID 113074030

IUPAC1-(1-phenylethyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-3-13-20(18,19)17-11-9-16(10-12-17)14(2)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3
InChIKeyIGIPWLSTTYHQOY-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.11
Rot. Bonds5

About 1-(1-phenylethyl)-4-propylsulfonylpiperazine

1-(1-phenylethyl)-4-propylsulfonylpiperazine (PubChem CID 113074030) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(1-phenylethyl)-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(1-phenylethyl)-4-propylsulfonylpiperazine
PubChem CID113074030
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(1-phenylethyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-3-13-20(18,19)17-11-9-16(10-12-17)14(2)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3
InChIKeyIGIPWLSTTYHQOY-UHFFFAOYSA-N
XLogP2.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenylmethanesulfonyl-piperidine
CID 273955
1-Methyl-4-(1-phenyl-ethyl)-piperazine
CID 14364677
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
1-(1-Benzylpiperidin-4-yl)-4-methylsulfonylpiperazine
CID 878477
4-Benzylthiomorpholine 1,1-Dioxide
CID 318454
4-[(4-Methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2815708
2-(2-Phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51360667
1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine
CID 787181
(E)-1-benzyl-4-(styrylsulfonyl)piperazine
CID 882298
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 4794396
N-[(1,3,4,6,7,11bbeta-Hexahydro-2H-benzo[a]quinolizin)-2alpha-yl]-N-methyl-1-propanesulfonamide
CID 12783216
CID 14107006
CID 14107006

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-4-propylsulfonylpiperazine?
The IUPAC name of 1-(1-phenylethyl)-4-propylsulfonylpiperazine (CID 113074030) is 1-(1-phenylethyl)-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(1-phenylethyl)-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(1-phenylethyl)-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(C(C)c2ccccc2)CC1.
What is the InChIKey of 1-(1-phenylethyl)-4-propylsulfonylpiperazine?
The InChIKey is IGIPWLSTTYHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-13-20(18,19)17-11-9-16(10-12-17)14(2)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3.
What are the key properties of 1-(1-phenylethyl)-4-propylsulfonylpiperazine?
1-(1-phenylethyl)-4-propylsulfonylpiperazine has a molecular weight of 296.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-4-propylsulfonylpiperazine is sourced from PubChem (CID 113074030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).