1-(4-tert-butylphenyl)sulfonylpiperazine

C14H22N2O2S — CID 2929804

IUPAC1-(4-tert-butylphenyl)sulfonylpiperazine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)12-4-6-13(7-5-12)19(17,18)16-10-8-15-9-11-16/h4-7,15H,8-11H2,1-3H3
InChIKeyLXLOQRQQMQHVHF-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.58
Rot. Bonds2

About 1-(4-tert-butylphenyl)sulfonylpiperazine

1-(4-tert-butylphenyl)sulfonylpiperazine (PubChem CID 2929804) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonylpiperazine
PubChem CID2929804
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(4-tert-butylphenyl)sulfonylpiperazine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)12-4-6-13(7-5-12)19(17,18)16-10-8-15-9-11-16/h4-7,15H,8-11H2,1-3H3
InChIKeyLXLOQRQQMQHVHF-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonylpiperazine (CID 2929804) is 1-(4-tert-butylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonylpiperazine is CC(C)(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonylpiperazine?
The InChIKey is LXLOQRQQMQHVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2,3)12-4-6-13(7-5-12)19(17,18)16-10-8-15-9-11-16/h4-7,15H,8-11H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonylpiperazine?
1-(4-tert-butylphenyl)sulfonylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2929804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).