2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine

C13H20N2O2S — CID 64979870

IUPAC2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CC(C)NCC2C)c1
InChIInChI=1S/C13H20N2O2S/c1-10-5-4-6-13(7-10)18(16,17)15-9-11(2)14-8-12(15)3/h4-7,11-12,14H,8-9H2,1-3H3
InChIKeyNDWGRJGRRMIDBG-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.37
Rot. Bonds2

About 2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine

2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine (PubChem CID 64979870) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
PubChem CID64979870
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
SMILESCc1cccc(S(=O)(=O)N2CC(C)NCC2C)c1
InChIInChI=1S/C13H20N2O2S/c1-10-5-4-6-13(7-10)18(16,17)15-9-11(2)14-8-12(15)3/h4-7,11-12,14H,8-9H2,1-3H3
InChIKeyNDWGRJGRRMIDBG-UHFFFAOYSA-N
XLogP1.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
(2S,5R)-1-[4-chloro-3-(iodomethyl)phenyl]sulfonyl-2,5-dimethylpiperazine
CID 89334298
(3S,5S)-3,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 42325544
2-methyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110728239
2,5-dimethyl-1-[4-(2-methylpropyl)phenyl]sulfonylpiperazine
CID 64979716
1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine
CID 110662414
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine
CID 64979833
5-[(2R,5S)-2,5-dimethylpiperazin-1-yl]sulfonyl-4-methylisoquinoline
CID 70272422
2,5-dimethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 64980332
1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride
CID 120712878
1-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-2,5-dimethylpiperazine
CID 64979887
(2S,5R)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonylpiperazine
CID 166595425

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine?
The IUPAC name of 2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine (CID 64979870) is 2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine is Cc1cccc(S(=O)(=O)N2CC(C)NCC2C)c1.
What is the InChIKey of 2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine?
The InChIKey is NDWGRJGRRMIDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-5-4-6-13(7-10)18(16,17)15-9-11(2)14-8-12(15)3/h4-7,11-12,14H,8-9H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine?
2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine has a molecular weight of 268.38 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 64979870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).