4-benzylsulfonyl-1,2,6-trimethylpiperazine

C14H22N2O2S — CID 110662416

IUPAC4-benzylsulfonyl-1,2,6-trimethylpiperazine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2)CC(C)N1C
InChIInChI=1S/C14H22N2O2S/c1-12-9-16(10-13(2)15(12)3)19(17,18)11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3
InChIKeyAOMCSVFJSMTSMO-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.54
Rot. Bonds3

About 4-benzylsulfonyl-1,2,6-trimethylpiperazine

4-benzylsulfonyl-1,2,6-trimethylpiperazine (PubChem CID 110662416) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-benzylsulfonyl-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name4-benzylsulfonyl-1,2,6-trimethylpiperazine
PubChem CID110662416
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-benzylsulfonyl-1,2,6-trimethylpiperazine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2)CC(C)N1C
InChIInChI=1S/C14H22N2O2S/c1-12-9-16(10-13(2)15(12)3)19(17,18)11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3
InChIKeyAOMCSVFJSMTSMO-UHFFFAOYSA-N
XLogP1.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine
CID 110602284
4-benzylsulfonyl-1,2-dimethylpiperazine
CID 110707686
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
4-benzylsulfonyl-2-methyl-1-phenylpiperazine
CID 110658074
1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]-2,6-dimethylpiperazine
CID 110393938
4-ethylsulfonyl-1,2,6-trimethylpiperazine
CID 110662378
2-methyl-4-[(4-methylphenyl)methylsulfonyl]-1-(2-phenylethyl)piperazine
CID 110658254
1-benzylsulfonyl-3-methylpiperazine
CID 65449944
1-benzylsulfonyl-3-methylpiperidin-4-ol
CID 114501633
1-benzyl-2,6-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110393933
4-benzylsulfonyl-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 110870723
1-benzylsulfonyl-2-propan-2-ylaziridine
CID 175123088

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfonyl-1,2,6-trimethylpiperazine?
The IUPAC name of 4-benzylsulfonyl-1,2,6-trimethylpiperazine (CID 110662416) is 4-benzylsulfonyl-1,2,6-trimethylpiperazine.
What is the SMILES notation for 4-benzylsulfonyl-1,2,6-trimethylpiperazine?
The canonical SMILES for 4-benzylsulfonyl-1,2,6-trimethylpiperazine is CC1CN(S(=O)(=O)Cc2ccccc2)CC(C)N1C.
What is the InChIKey of 4-benzylsulfonyl-1,2,6-trimethylpiperazine?
The InChIKey is AOMCSVFJSMTSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-9-16(10-13(2)15(12)3)19(17,18)11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3.
What are the key properties of 4-benzylsulfonyl-1,2,6-trimethylpiperazine?
4-benzylsulfonyl-1,2,6-trimethylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfonyl-1,2,6-trimethylpiperazine is sourced from PubChem (CID 110662416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).