1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine

C16H26N2O3S — CID 75440515

IUPAC1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C)C(C)C2C)cc1C
InChIInChI=1S/C16H26N2O3S/c1-11-10-16(12(2)9-15(11)21-6)22(19,20)18-8-7-17(5)13(3)14(18)4/h9-10,13-14H,7-8H2,1-6H3
InChIKeyYAFSAOLAXIJTIU-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.03
Rot. Bonds3

About 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine

1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine (PubChem CID 75440515) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine
PubChem CID75440515
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C)C(C)C2C)cc1C
InChIInChI=1S/C16H26N2O3S/c1-11-10-16(12(2)9-15(11)21-6)22(19,20)18-8-7-17(5)13(3)14(18)4/h9-10,13-14H,7-8H2,1-6H3
InChIKeyYAFSAOLAXIJTIU-UHFFFAOYSA-N
XLogP2.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine
CID 66485991
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708150
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 110418562
2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine
CID 110418700
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2-phenylpyrrolidine-3-carboxylic acid
CID 167880325
(2R,3S)-1-(3-chloro-4-methylphenyl)sulfonyl-2,3,4-trimethylpiperazine
CID 98855875
cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818749
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
CID 119959644
[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972005
2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine
CID 122330248

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine (CID 75440515) is 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine is COc1cc(C)c(S(=O)(=O)N2CCN(C)C(C)C2C)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine?
The InChIKey is YAFSAOLAXIJTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-11-10-16(12(2)9-15(11)21-6)22(19,20)18-8-7-17(5)13(3)14(18)4/h9-10,13-14H,7-8H2,1-6H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine?
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine has a molecular weight of 326.46 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3,4-trimethylpiperazine is sourced from PubChem (CID 75440515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).