1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine

C14H22N2O2S — CID 120725529

IUPAC1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine
SMILESCCc1ccccc1S(=O)(=O)N1CCNC(C)C1C
InChIInChI=1S/C14H22N2O2S/c1-4-13-7-5-6-8-14(13)19(17,18)16-10-9-15-11(2)12(16)3/h5-8,11-12,15H,4,9-10H2,1-3H3
InChIKeyJLSRUFOWASHZPF-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.62
Rot. Bonds3

About 1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine

1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine (PubChem CID 120725529) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine
PubChem CID120725529
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine
SMILESCCc1ccccc1S(=O)(=O)N1CCNC(C)C1C
InChIInChI=1S/C14H22N2O2S/c1-4-13-7-5-6-8-14(13)19(17,18)16-10-9-15-11(2)12(16)3/h5-8,11-12,15H,4,9-10H2,1-3H3
InChIKeyJLSRUFOWASHZPF-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylphenyl)sulfonyl-3-methylpiperazine
CID 120710396
2,3-dimethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120725488
N-butyl-2-(2,3-dimethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 120725952
1-(2,4-dimethylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725689
1-(2,4-dichlorophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725527
2,3-dimethyl-1-(2,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120725343
1-(2,5-difluorophenyl)sulfonyl-2,3-dimethylpiperazine;hydrochloride
CID 120725989
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
CID 120725851
2,3-dimethyl-1-[(6-methyl-1,3-benzodioxol-5-yl)sulfonyl]piperazine
CID 120876607
8-(2,3-dimethylpiperazin-1-yl)sulfonyl-3-methylquinoline;hydrochloride
CID 120725603
N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide
CID 120725841
1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-2,3-dimethylpiperazine
CID 120725545

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine?
The IUPAC name of 1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine (CID 120725529) is 1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine.
What is the SMILES notation for 1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine?
The canonical SMILES for 1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine is CCc1ccccc1S(=O)(=O)N1CCNC(C)C1C.
What is the InChIKey of 1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine?
The InChIKey is JLSRUFOWASHZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-13-7-5-6-8-14(13)19(17,18)16-10-9-15-11(2)12(16)3/h5-8,11-12,15H,4,9-10H2,1-3H3.
What are the key properties of 1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine?
1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)sulfonyl-2,3-dimethylpiperazine is sourced from PubChem (CID 120725529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).