1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine

C15H24N2O2S — CID 82251759

IUPAC1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-12(2)14-10-16-15(3,4)11-17(14)20(18,19)13-8-6-5-7-9-13/h5-9,12,14,16H,10-11H2,1-4H3
InChIKeyNJEGLHXGSJAXEN-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.08
Rot. Bonds3

About 1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine

1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 82251759) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID82251759
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24N2O2S/c1-12(2)14-10-16-15(3,4)11-17(14)20(18,19)13-8-6-5-7-9-13/h5-9,12,14,16H,10-11H2,1-4H3
InChIKeyNJEGLHXGSJAXEN-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 82251759) is 1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C)(C)CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is NJEGLHXGSJAXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(2)14-10-16-15(3,4)11-17(14)20(18,19)13-8-6-5-7-9-13/h5-9,12,14,16H,10-11H2,1-4H3.
What are the key properties of 1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 296.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 82251759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).