1-methyl-4-methylsulfonyl-2-phenylpiperazine

C12H18N2O2S — CID 112511935

IUPAC1-methyl-4-methylsulfonyl-2-phenylpiperazine
SMILESCN1CCN(S(C)(=O)=O)CC1c1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-13-8-9-14(17(2,15)16)10-12(13)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyNNYYRBPADJUOLC-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.93
Rot. Bonds2

About 1-methyl-4-methylsulfonyl-2-phenylpiperazine

1-methyl-4-methylsulfonyl-2-phenylpiperazine (PubChem CID 112511935) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-methyl-4-methylsulfonyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-methyl-4-methylsulfonyl-2-phenylpiperazine
PubChem CID112511935
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-methyl-4-methylsulfonyl-2-phenylpiperazine
SMILESCN1CCN(S(C)(=O)=O)CC1c1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-13-8-9-14(17(2,15)16)10-12(13)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyNNYYRBPADJUOLC-UHFFFAOYSA-N
XLogP0.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide
CID 124669879
4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine
CID 110617293
(2S)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine
CID 124988403
(2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine
CID 124988402
1-methyl-2-phenyl-4-propylsulfonylpiperazine
CID 110418547
N-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine
CID 167017891
1-(4-methylsulfonyl-2-phenylpiperazin-1-yl)ethanone
CID 127244769
(2R)-4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 129418750
4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 53189132
(4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110418535
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
CID 94915318

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfonyl-2-phenylpiperazine?
The IUPAC name of 1-methyl-4-methylsulfonyl-2-phenylpiperazine (CID 112511935) is 1-methyl-4-methylsulfonyl-2-phenylpiperazine.
What is the SMILES notation for 1-methyl-4-methylsulfonyl-2-phenylpiperazine?
The canonical SMILES for 1-methyl-4-methylsulfonyl-2-phenylpiperazine is CN1CCN(S(C)(=O)=O)CC1c1ccccc1.
What is the InChIKey of 1-methyl-4-methylsulfonyl-2-phenylpiperazine?
The InChIKey is NNYYRBPADJUOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-13-8-9-14(17(2,15)16)10-12(13)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3.
What are the key properties of 1-methyl-4-methylsulfonyl-2-phenylpiperazine?
1-methyl-4-methylsulfonyl-2-phenylpiperazine has a molecular weight of 254.35 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfonyl-2-phenylpiperazine is sourced from PubChem (CID 112511935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).