1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine

C14H22N2O2S — CID 120725689

IUPAC1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCNC(C)C2C)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-10-5-6-14(11(2)9-10)19(17,18)16-8-7-15-12(3)13(16)4/h5-6,9,12-13,15H,7-8H2,1-4H3
InChIKeyXGRPMOZLAJNFAV-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.67
Rot. Bonds2

About 1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine

1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine (PubChem CID 120725689) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine
PubChem CID120725689
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCNC(C)C2C)c(C)c1
InChIInChI=1S/C14H22N2O2S/c1-10-5-6-14(11(2)9-10)19(17,18)16-8-7-15-12(3)13(16)4/h5-6,9,12-13,15H,7-8H2,1-4H3
InChIKeyXGRPMOZLAJNFAV-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methylbenzoate
CID 120725425
2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride
CID 120725684
2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine
CID 120876607
1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725527
4-(2,3-dimethylpiperazin-1-yl)sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 120876566
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
CID 120725851
2,3-dimethyl-1-(2,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120725343
1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725989
1-(4-bromo-3-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725401
1-(3-bromo-5-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725861
1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725529
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725578

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine (CID 120725689) is 1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine is Cc1ccc(S(=O)(=O)N2CCNC(C)C2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine?
The InChIKey is XGRPMOZLAJNFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-5-6-14(11(2)9-10)19(17,18)16-8-7-15-12(3)13(16)4/h5-6,9,12-13,15H,7-8H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine?
1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine is sourced from PubChem (CID 120725689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).