1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine

C13H20N2O2S — CID 93464376

IUPAC1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
SMILESC[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCNCC1
InChIInChI=1S/C13H20N2O2S/c1-11(15-9-7-14-8-10-15)12-3-5-13(6-4-12)18(2,16)17/h3-6,11,14H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyXJUNZNPNVMYCTP-LLVKDONJSA-N
MW268.38 g/mol
LogP1.06
Rot. Bonds3

About 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine

1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine (PubChem CID 93464376) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
PubChem CID93464376
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
SMILESC[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCNCC1
InChIInChI=1S/C13H20N2O2S/c1-11(15-9-7-14-8-10-15)12-3-5-13(6-4-12)18(2,16)17/h3-6,11,14H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyXJUNZNPNVMYCTP-LLVKDONJSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-2,2,2-trifluoro-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 171178301
(2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol
CID 171183294
1-[(1R)-1-(4-methylsulfonylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171285322
1-[(1R)-2,2,2-trifluoro-1-(4-methylsulfonylphenyl)ethyl]piperazine;hydrochloride
CID 171178302
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171272714
4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
CID 126430266
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine;dihydrochloride
CID 171272715
1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine
CID 63595825
1-[(1S)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propyl]piperazine
CID 171162703
1-[(1S)-4,4,4-trifluoro-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171162701
4-(1-piperazin-1-ylethyl)benzaldehyde
CID 105473045
1-[(1R)-1-(4-nitrophenyl)ethyl]piperazine;dihydrochloride
CID 171285206

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine (CID 93464376) is 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine is C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine?
The InChIKey is XJUNZNPNVMYCTP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11(15-9-7-14-8-10-15)12-3-5-13(6-4-12)18(2,16)17/h3-6,11,14H,7-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine?
1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine has a molecular weight of 268.38 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine is sourced from PubChem (CID 93464376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).