4-benzylsulfonyl-1,2-dimethylpiperazine

C13H20N2O2S — CID 110707686

IUPAC4-benzylsulfonyl-1,2-dimethylpiperazine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2)CCN1C
InChIInChI=1S/C13H20N2O2S/c1-12-10-15(9-8-14(12)2)18(16,17)11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyORCUBMIHBKKCHF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.15
Rot. Bonds3

About 4-benzylsulfonyl-1,2-dimethylpiperazine

4-benzylsulfonyl-1,2-dimethylpiperazine (PubChem CID 110707686) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-benzylsulfonyl-1,2-dimethylpiperazine.

Molecular Properties

Compound Name4-benzylsulfonyl-1,2-dimethylpiperazine
PubChem CID110707686
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-benzylsulfonyl-1,2-dimethylpiperazine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2)CCN1C
InChIInChI=1S/C13H20N2O2S/c1-12-10-15(9-8-14(12)2)18(16,17)11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyORCUBMIHBKKCHF-UHFFFAOYSA-N
XLogP1.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzylsulfonyl-2-methyl-1-phenylpiperazine
CID 110658074
4-benzylsulfonyl-2,6-dimethyl-1-phenylpiperazine
CID 110602284
4-benzylsulfonyl-1,2,6-trimethylpiperazine
CID 110662416
2-methyl-4-[(4-methylphenyl)methylsulfonyl]-1-(2-phenylethyl)piperazine
CID 110658254
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
1-benzylsulfonyl-3-methylpiperazine
CID 65449944
1-benzylsulfonyl-3-methylpiperidin-4-ol
CID 114501633
4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129000338
(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]-2,6-dimethylpiperazine
CID 110393938
1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine
CID 114498856

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfonyl-1,2-dimethylpiperazine?
The IUPAC name of 4-benzylsulfonyl-1,2-dimethylpiperazine (CID 110707686) is 4-benzylsulfonyl-1,2-dimethylpiperazine.
What is the SMILES notation for 4-benzylsulfonyl-1,2-dimethylpiperazine?
The canonical SMILES for 4-benzylsulfonyl-1,2-dimethylpiperazine is CC1CN(S(=O)(=O)Cc2ccccc2)CCN1C.
What is the InChIKey of 4-benzylsulfonyl-1,2-dimethylpiperazine?
The InChIKey is ORCUBMIHBKKCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-12-10-15(9-8-14(12)2)18(16,17)11-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 4-benzylsulfonyl-1,2-dimethylpiperazine?
4-benzylsulfonyl-1,2-dimethylpiperazine has a molecular weight of 268.38 g/mol, XLogP of 1.15, 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-dimethylpiperazine is sourced from PubChem (CID 110707686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).