1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

C16H26N2O4S2 — CID 95753283

IUPAC1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(CCS(C)(=O)=O)CC2)c(C)c1
InChIInChI=1S/C16H26N2O4S2/c1-13-11-14(2)16(15(3)12-13)24(21,22)18-7-5-17(6-8-18)9-10-23(4,19)20/h11-12H,5-10H2,1-4H3
InChIKeyUHIYMRLCHZSASL-UHFFFAOYSA-N
MW374.53 g/mol
LogP0.96
Rot. Bonds5

About 1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine

1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (PubChem CID 95753283) has the molecular formula C16H26N2O4S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
PubChem CID95753283
Molecular FormulaC16H26N2O4S2
Molecular Weight374.53 g/mol
Exact Mass374.13
IUPAC Name1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(CCS(C)(=O)=O)CC2)c(C)c1
InChIInChI=1S/C16H26N2O4S2/c1-13-11-14(2)16(15(3)12-13)24(21,22)18-7-5-17(6-8-18)9-10-23(4,19)20/h11-12H,5-10H2,1-4H3
InChIKeyUHIYMRLCHZSASL-UHFFFAOYSA-N
XLogP0.96
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 95753287
1-(4-bromophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 78787612
1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 167780338
1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one
CID 110708137
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8553724
1-(2-chloroprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium
CID 8689036
1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 26945213
N,N-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 971390
5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
CID 8748084
(2S)-2-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 30288288
1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817632
3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 18167572

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine (CID 95753283) is 1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is Cc1cc(C)c(S(=O)(=O)N2CCN(CCS(C)(=O)=O)CC2)c(C)c1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
The InChIKey is UHIYMRLCHZSASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S2/c1-13-11-14(2)16(15(3)12-13)24(21,22)18-7-5-17(6-8-18)9-10-23(4,19)20/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine?
1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine has a molecular weight of 374.53 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 95753283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).