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

C14H22N2O2S — CID 110707659

IUPAC4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C)C(C)C2)cc1C
InChIInChI=1S/C14H22N2O2S/c1-11-5-6-14(9-12(11)2)19(17,18)16-8-7-15(4)13(3)10-16/h5-6,9,13H,7-8,10H2,1-4H3
InChIKeyQXAQSWDOSDESFP-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.63
Rot. Bonds2

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

4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine (PubChem CID 110707659) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine
PubChem CID110707659
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C)C(C)C2)cc1C
InChIInChI=1S/C14H22N2O2S/c1-11-5-6-14(9-12(11)2)19(17,18)16-8-7-15(4)13(3)10-16/h5-6,9,13H,7-8,10H2,1-4H3
InChIKeyQXAQSWDOSDESFP-UHFFFAOYSA-N
XLogP1.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis[(3,4-dimethylphenyl)sulfonyl]-2-methylpiperazine
CID 2896880
[4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919400
1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine
CID 110707656
4-(3,4-dimethylphenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
CID 19682975
5-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-fluoroaniline
CID 55215595
4-(3,4-dimethylpiperazin-1-yl)sulfonylbenzonitrile
CID 63619441
1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone
CID 63620566
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 4598462
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
CID 6499792
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650
1,4-bis[(4-chloro-3-methylphenyl)sulfonyl]-2-methylpiperazine
CID 15992527

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine?
The IUPAC name of 4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine (CID 110707659) is 4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine?
The canonical SMILES for 4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C)C(C)C2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine?
The InChIKey is QXAQSWDOSDESFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-5-6-14(9-12(11)2)19(17,18)16-8-7-15(4)13(3)10-16/h5-6,9,13H,7-8,10H2,1-4H3.
What are the key properties of 4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine?
4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine is sourced from PubChem (CID 110707659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).