(2R)-2-benzyl-1-methylsulfonylpiperazine

C12H18N2O2S — CID 94990746

IUPAC(2R)-2-benzyl-1-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)14-8-7-13-10-12(14)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-/m1/s1
InChIKeyDTFMCPZODFCQIS-GFCCVEGCSA-N
MW254.35 g/mol
LogP0.46
Rot. Bonds3

About (2R)-2-benzyl-1-methylsulfonylpiperazine

(2R)-2-benzyl-1-methylsulfonylpiperazine (PubChem CID 94990746) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (2R)-2-benzyl-1-methylsulfonylpiperazine.

Molecular Properties

Compound Name(2R)-2-benzyl-1-methylsulfonylpiperazine
PubChem CID94990746
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(2R)-2-benzyl-1-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)14-8-7-13-10-12(14)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-/m1/s1
InChIKeyDTFMCPZODFCQIS-GFCCVEGCSA-N
XLogP0.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-1-(2-methylsulfonylethyl)piperazine
CID 64846831
2-benzyl-1-(4-nitrophenyl)sulfonylpiperazine
CID 74955238
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
(2S)-2-ethyl-1-methylsulfonylpiperazine;hydrochloride
CID 174587316
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
(2R)-2-benzyl-1-(1,5-diphenylpyrazol-4-yl)sulfonylpiperazine
CID 59324812
(2R)-2-benzyl-1-(1,5-diphenyltriazol-4-yl)sulfonylpiperazine
CID 59324466
4-[[(2S)-2-benzylpiperazin-1-yl]methyl]benzoic acid
CID 45072762
4-[(2-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414062
2-benzyl-1-(3-fluoropropyl)piperazine
CID 81114655
2-benzyl-1-(2-ethoxyethyl)piperazine
CID 64845833
2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine
CID 107901402

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-1-methylsulfonylpiperazine?
The IUPAC name of (2R)-2-benzyl-1-methylsulfonylpiperazine (CID 94990746) is (2R)-2-benzyl-1-methylsulfonylpiperazine.
What is the SMILES notation for (2R)-2-benzyl-1-methylsulfonylpiperazine?
The canonical SMILES for (2R)-2-benzyl-1-methylsulfonylpiperazine is CS(=O)(=O)N1CCNC[C@H]1Cc1ccccc1.
What is the InChIKey of (2R)-2-benzyl-1-methylsulfonylpiperazine?
The InChIKey is DTFMCPZODFCQIS-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-17(15,16)14-8-7-13-10-12(14)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-benzyl-1-methylsulfonylpiperazine?
(2R)-2-benzyl-1-methylsulfonylpiperazine has a molecular weight of 254.35 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-1-methylsulfonylpiperazine is sourced from PubChem (CID 94990746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).