1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium

C14H23N2O3S+ — CID 6957248

IUPAC1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium
SMILESCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C14H22N2O3S/c1-4-15-7-9-16(10-8-15)20(17,18)13-5-6-14(19-3)12(2)11-13/h5-6,11H,4,7-10H2,1-3H3/p+1
InChIKeyWNSZIPYAVBFSOF-UHFFFAOYSA-O
MW299.42 g/mol
LogP-0.09
Rot. Bonds4

About 1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium

1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium (PubChem CID 6957248) has the molecular formula C14H23N2O3S+ and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium.

Molecular Properties

Compound Name1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium
PubChem CID6957248
Molecular FormulaC14H23N2O3S+
Molecular Weight299.42 g/mol
Exact Mass299.14
IUPAC Name1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium
SMILESCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C14H22N2O3S/c1-4-15-7-9-16(10-8-15)20(17,18)13-5-6-14(19-3)12(2)11-13/h5-6,11H,4,7-10H2,1-3H3/p+1
InChIKeyWNSZIPYAVBFSOF-UHFFFAOYSA-O
XLogP-0.09
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 847008
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1-tert-butyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
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1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
1-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-ium
CID 7768351
1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 972845
1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 37498592
1-[(4-chlorophenyl)methyl]-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 37498144
1-[(4-fluorophenyl)methyl]-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 110398703
1-[(2,5-dimethylphenyl)methyl]-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 110399204
4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708141
(2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one
CID 8758076

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium?
The IUPAC name of 1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium (CID 6957248) is 1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium.
What is the SMILES notation for 1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium?
The canonical SMILES for 1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium is CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1.
What is the InChIKey of 1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium?
The InChIKey is WNSZIPYAVBFSOF-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N2O3S/c1-4-15-7-9-16(10-8-15)20(17,18)13-5-6-14(19-3)12(2)11-13/h5-6,11H,4,7-10H2,1-3H3/p+1.
What are the key properties of 1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium?
1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium has a molecular weight of 299.42 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium is sourced from PubChem (CID 6957248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).