1-(2-propan-2-yloxyphenyl)sulfonylpiperazine

C13H20N2O3S — CID 141221237

IUPAC1-(2-propan-2-yloxyphenyl)sulfonylpiperazine
SMILESCC(C)Oc1ccccc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C13H20N2O3S/c1-11(2)18-12-5-3-4-6-13(12)19(16,17)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3
InChIKeyGQQBFOVRTANORJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.07
Rot. Bonds4

About 1-(2-propan-2-yloxyphenyl)sulfonylpiperazine

1-(2-propan-2-yloxyphenyl)sulfonylpiperazine (PubChem CID 141221237) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)sulfonylpiperazine
PubChem CID141221237
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(2-propan-2-yloxyphenyl)sulfonylpiperazine
SMILESCC(C)Oc1ccccc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C13H20N2O3S/c1-11(2)18-12-5-3-4-6-13(12)19(16,17)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3
InChIKeyGQQBFOVRTANORJ-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)sulfonylpiperazine (CID 141221237) is 1-(2-propan-2-yloxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)sulfonylpiperazine is CC(C)Oc1ccccc1S(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)sulfonylpiperazine?
The InChIKey is GQQBFOVRTANORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11(2)18-12-5-3-4-6-13(12)19(16,17)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyphenyl)sulfonylpiperazine?
1-(2-propan-2-yloxyphenyl)sulfonylpiperazine has a molecular weight of 284.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 141221237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).