1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine

C13H20N2O4S2 — CID 719622

IUPAC1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-3-20(16,17)14-8-10-15(11-9-14)21(18,19)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyRFFXGGGUMHGEMH-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.65
Rot. Bonds4

About 1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine

1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 719622) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID719622
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C13H20N2O4S2/c1-3-20(16,17)14-8-10-15(11-9-14)21(18,19)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyRFFXGGGUMHGEMH-UHFFFAOYSA-N
XLogP0.65
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377884
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
1-(4-methylphenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 22772839
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072895
1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113076386
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine (CID 719622) is 1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine is CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is RFFXGGGUMHGEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-3-20(16,17)14-8-10-15(11-9-14)21(18,19)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 332.45 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 719622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).