1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine

C15H24N2O2S — CID 171272714

IUPAC1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine
SMILESCCC[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCNCC1
InChIInChI=1S/C15H24N2O2S/c1-3-4-15(17-11-9-16-10-12-17)13-5-7-14(8-6-13)20(2,18)19/h5-8,15-16H,3-4,9-12H2,1-2H3/t15-/m0/s1
InChIKeyACAUYEAJGOMGCU-HNNXBMFYSA-N
MW296.44 g/mol
LogP1.84
Rot. Bonds5

About 1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine

1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine (PubChem CID 171272714) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine
PubChem CID171272714
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine
SMILESCCC[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCNCC1
InChIInChI=1S/C15H24N2O2S/c1-3-4-15(17-11-9-16-10-12-17)13-5-7-14(8-6-13)20(2,18)19/h5-8,15-16H,3-4,9-12H2,1-2H3/t15-/m0/s1
InChIKeyACAUYEAJGOMGCU-HNNXBMFYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine;dihydrochloride
CID 171272715
1-[(1S)-4,4,4-trifluoro-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171162701
(2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol
CID 171183294
1-[(1S)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propyl]piperazine
CID 171162703
1-[(1S)-1-(4-iodophenyl)butyl]piperazine
CID 171276051
1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 93464376
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83926312
trimethyl-[4-[(1S)-1-piperazin-1-ylbutyl]phenoxy]silane
CID 171279039
1-[(1R)-2,2,2-trifluoro-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 171178301
1-[(1R)-2,2,2-trifluoro-1-(4-methylsulfonylphenyl)ethyl]piperazine;hydrochloride
CID 171178302
1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171285322

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine (CID 171272714) is 1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine is CCC[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine?
The InChIKey is ACAUYEAJGOMGCU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-4-15(17-11-9-16-10-12-17)13-5-7-14(8-6-13)20(2,18)19/h5-8,15-16H,3-4,9-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine?
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine has a molecular weight of 296.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine is sourced from PubChem (CID 171272714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).