1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine

C14H22N2O3S — CID 63909437

IUPAC1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2C(C)CNCC2C)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-19-13-5-7-14(8-6-13)20(17,18)16-11(2)9-15-10-12(16)3/h5-8,11-12,15H,4,9-10H2,1-3H3
InChIKeyJIPOVSYKENTXSY-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.46
Rot. Bonds4

About 1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine

1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine (PubChem CID 63909437) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine
PubChem CID63909437
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2C(C)CNCC2C)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-19-13-5-7-14(8-6-13)20(17,18)16-11(2)9-15-10-12(16)3/h5-8,11-12,15H,4,9-10H2,1-3H3
InChIKeyJIPOVSYKENTXSY-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

(2R,6R)-1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
CID 40514291
9-(4-ethoxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719292
2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine
CID 62672257
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106672603
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide
CID 43597428
1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine
CID 4738891
[1-(4-ethoxyphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582144
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-(5-ethylthiophen-2-yl)sulfonyl-2,6-dimethylpiperazine
CID 63910226
3-(4-ethoxyphenyl)sulfonylpyrrolidine
CID 82299275
4-(4-ethoxyphenyl)sulfonylpiperidine
CID 18538560

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine (CID 63909437) is 1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine is CCOc1ccc(S(=O)(=O)N2C(C)CNCC2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine?
The InChIKey is JIPOVSYKENTXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-19-13-5-7-14(8-6-13)20(17,18)16-11(2)9-15-10-12(16)3/h5-8,11-12,15H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine?
1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine has a molecular weight of 298.41 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-2,6-dimethylpiperazine is sourced from PubChem (CID 63909437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).