1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine

C14H22N2O3S — CID 82252088

IUPAC1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)NCC2(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-11-9-16(14(2,3)10-15-11)20(17,18)13-7-5-12(19-4)6-8-13/h5-8,11,15H,9-10H2,1-4H3
InChIKeyZAGFNZCLAMEGHK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.46
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine

1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine (PubChem CID 82252088) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine
PubChem CID82252088
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)NCC2(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-11-9-16(14(2,3)10-15-11)20(17,18)13-7-5-12(19-4)6-8-13/h5-8,11,15H,9-10H2,1-4H3
InChIKeyZAGFNZCLAMEGHK-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982135
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
1-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-diazepane
CID 82249735
4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507393
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 147806045
[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576431
7-(4-methoxyphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 11737230
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
1-(4-methoxyphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595640
4-chloro-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidine
CID 114683611
8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]oct-2-ene
CID 90627390

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine (CID 82252088) is 1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine is COc1ccc(S(=O)(=O)N2CC(C)NCC2(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine?
The InChIKey is ZAGFNZCLAMEGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-9-16(14(2,3)10-15-11)20(17,18)13-7-5-12(19-4)6-8-13/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine?
1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine has a molecular weight of 298.41 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-2,2,5-trimethylpiperazine is sourced from PubChem (CID 82252088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).