1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine

C15H24N2O4S — CID 110758690

IUPAC1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(OC)c(C)c2OC)CC1
InChIInChI=1S/C15H24N2O4S/c1-5-16-8-10-17(11-9-16)22(18,19)14-7-6-13(20-3)12(2)15(14)21-4/h6-7H,5,8-11H2,1-4H3
InChIKeyTVNWZUYQYGTJGM-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.34
Rot. Bonds5

About 1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine

1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine (PubChem CID 110758690) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine
PubChem CID110758690
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc(OC)c(C)c2OC)CC1
InChIInChI=1S/C15H24N2O4S/c1-5-16-8-10-17(11-9-16)22(18,19)14-7-6-13(20-3)12(2)15(14)21-4/h6-7H,5,8-11H2,1-4H3
InChIKeyTVNWZUYQYGTJGM-UHFFFAOYSA-N
XLogP1.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxy-3-methylphenyl)sulfonylpiperazine-1-carbaldehyde
CID 110758691
1-ethyl-4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazine
CID 6464192
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
CID 6472720
5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline
CID 29040961
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110763337
1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
CID 39730317
2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121053269
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
CID 1088784
2-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-4-methoxyaniline
CID 81396910
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-butyl-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 113072830
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine?
The IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine (CID 110758690) is 1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2ccc(OC)c(C)c2OC)CC1.
What is the InChIKey of 1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine?
The InChIKey is TVNWZUYQYGTJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-16-8-10-17(11-9-16)22(18,19)14-7-6-13(20-3)12(2)15(14)21-4/h6-7H,5,8-11H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine?
1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine has a molecular weight of 328.43 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine is sourced from PubChem (CID 110758690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).