1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine

C13H20N2O2S — CID 110707656

IUPAC1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C)C(C)C2)cc1
InChIInChI=1S/C13H20N2O2S/c1-11-4-6-13(7-5-11)18(16,17)15-9-8-14(3)12(2)10-15/h4-7,12H,8-10H2,1-3H3
InChIKeyATXHPGFJQNLEDV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.32
Rot. Bonds2

About 1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine

1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 110707656) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID110707656
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C)C(C)C2)cc1
InChIInChI=1S/C13H20N2O2S/c1-11-4-6-13(7-5-11)18(16,17)15-9-8-14(3)12(2)10-15/h4-7,12H,8-10H2,1-3H3
InChIKeyATXHPGFJQNLEDV-UHFFFAOYSA-N
XLogP1.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine
CID 110707659
1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone
CID 63620566
4-(3,4-dimethylpiperazin-1-yl)sulfonylbenzonitrile
CID 63619441
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
[4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919400
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
CID 5154775
5-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-fluoroaniline
CID 55215595
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608
3-bromo-1-(4-methylphenyl)sulfonylpiperidine
CID 80676007
3-fluoro-1-(4-methylphenyl)sulfonylpiperidine
CID 102167204

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine (CID 110707656) is 1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C)C(C)C2)cc1.
What is the InChIKey of 1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is ATXHPGFJQNLEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-4-6-13(7-5-11)18(16,17)15-9-8-14(3)12(2)10-15/h4-7,12H,8-10H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine?
1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 268.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 110707656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).