1-butylsulfonyl-2-methyl-5-phenylpiperazine

C15H24N2O2S — CID 82251741

IUPAC1-butylsulfonyl-2-methyl-5-phenylpiperazine
SMILESCCCCS(=O)(=O)N1CC(c2ccccc2)NCC1C
InChIInChI=1S/C15H24N2O2S/c1-3-4-10-20(18,19)17-12-15(16-11-13(17)2)14-8-6-5-7-9-14/h5-9,13,15-16H,3-4,10-12H2,1-2H3
InChIKeyFQZVZJVEYODHSX-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.15
Rot. Bonds5

About 1-butylsulfonyl-2-methyl-5-phenylpiperazine

1-butylsulfonyl-2-methyl-5-phenylpiperazine (PubChem CID 82251741) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-butylsulfonyl-2-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-butylsulfonyl-2-methyl-5-phenylpiperazine
PubChem CID82251741
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-butylsulfonyl-2-methyl-5-phenylpiperazine
SMILESCCCCS(=O)(=O)N1CC(c2ccccc2)NCC1C
InChIInChI=1S/C15H24N2O2S/c1-3-4-10-20(18,19)17-12-15(16-11-13(17)2)14-8-6-5-7-9-14/h5-9,13,15-16H,3-4,10-12H2,1-2H3
InChIKeyFQZVZJVEYODHSX-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine
CID 106733197
1-heptan-2-yl-2-methyl-5-phenylpiperazine
CID 64935927
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine
CID 102908543
7-methyl-1-(3-methylsulfonylpropyl)-3-phenyl-1,4-diazepane
CID 64869984
2-methyl-1-pent-4-ynyl-5-phenylpiperazine
CID 114160139
(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine
CID 169115914
1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
CID 80696742
1-(4-ethylphenyl)-2-methyl-5-phenylpiperazine
CID 64931217
1-(4-ethylcyclohexyl)-2-methyl-5-phenylpiperazine
CID 64947768
1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine
CID 64877643

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-2-methyl-5-phenylpiperazine?
The IUPAC name of 1-butylsulfonyl-2-methyl-5-phenylpiperazine (CID 82251741) is 1-butylsulfonyl-2-methyl-5-phenylpiperazine.
What is the SMILES notation for 1-butylsulfonyl-2-methyl-5-phenylpiperazine?
The canonical SMILES for 1-butylsulfonyl-2-methyl-5-phenylpiperazine is CCCCS(=O)(=O)N1CC(c2ccccc2)NCC1C.
What is the InChIKey of 1-butylsulfonyl-2-methyl-5-phenylpiperazine?
The InChIKey is FQZVZJVEYODHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-4-10-20(18,19)17-12-15(16-11-13(17)2)14-8-6-5-7-9-14/h5-9,13,15-16H,3-4,10-12H2,1-2H3.
What are the key properties of 1-butylsulfonyl-2-methyl-5-phenylpiperazine?
1-butylsulfonyl-2-methyl-5-phenylpiperazine has a molecular weight of 296.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-2-methyl-5-phenylpiperazine is sourced from PubChem (CID 82251741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).