1-(3,4-dimethoxyphenyl)sulfonylpiperazine

C12H18N2O4S — CID 2769442

IUPAC1-(3,4-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCNCC2)cc1OC
InChIInChI=1S/C12H18N2O4S/c1-17-11-4-3-10(9-12(11)18-2)19(15,16)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeyFFTNIOVRBBMUEN-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.30
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)sulfonylpiperazine

1-(3,4-dimethoxyphenyl)sulfonylpiperazine (PubChem CID 2769442) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonylpiperazine
PubChem CID2769442
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCNCC2)cc1OC
InChIInChI=1S/C12H18N2O4S/c1-17-11-4-3-10(9-12(11)18-2)19(15,16)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeyFFTNIOVRBBMUEN-UHFFFAOYSA-N
XLogP0.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonylpiperazine (CID 2769442) is 1-(3,4-dimethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCNCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The InChIKey is FFTNIOVRBBMUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-17-11-4-3-10(9-12(11)18-2)19(15,16)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonylpiperazine?
1-(3,4-dimethoxyphenyl)sulfonylpiperazine has a molecular weight of 286.35 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 2769442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).