1-(1-adamantylsulfonyl)-4-phenylpiperazine

C20H28N2O2S — CID 4918905

IUPAC1-(1-adamantylsulfonyl)-4-phenylpiperazine
SMILESO=S(=O)(N1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O2S/c23-25(24,20-13-16-10-17(14-20)12-18(11-16)15-20)22-8-6-21(7-9-22)19-4-2-1-3-5-19/h1-5,16-18H,6-15H2
InChIKeyIUUCJRZYQMUYSZ-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.11
Rot. Bonds3

About 1-(1-adamantylsulfonyl)-4-phenylpiperazine

1-(1-adamantylsulfonyl)-4-phenylpiperazine (PubChem CID 4918905) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 1-(1-adamantylsulfonyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(1-adamantylsulfonyl)-4-phenylpiperazine
PubChem CID4918905
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name1-(1-adamantylsulfonyl)-4-phenylpiperazine
SMILESO=S(=O)(N1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O2S/c23-25(24,20-13-16-10-17(14-20)12-18(11-16)15-20)22-8-6-21(7-9-22)19-4-2-1-3-5-19/h1-5,16-18H,6-15H2
InChIKeyIUUCJRZYQMUYSZ-UHFFFAOYSA-N
XLogP3.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylsulfonyl)-4-phenylpiperazine?
The IUPAC name of 1-(1-adamantylsulfonyl)-4-phenylpiperazine (CID 4918905) is 1-(1-adamantylsulfonyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(1-adamantylsulfonyl)-4-phenylpiperazine?
The canonical SMILES for 1-(1-adamantylsulfonyl)-4-phenylpiperazine is O=S(=O)(N1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylsulfonyl)-4-phenylpiperazine?
The InChIKey is IUUCJRZYQMUYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c23-25(24,20-13-16-10-17(14-20)12-18(11-16)15-20)22-8-6-21(7-9-22)19-4-2-1-3-5-19/h1-5,16-18H,6-15H2.
What are the key properties of 1-(1-adamantylsulfonyl)-4-phenylpiperazine?
1-(1-adamantylsulfonyl)-4-phenylpiperazine has a molecular weight of 360.52 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylsulfonyl)-4-phenylpiperazine is sourced from PubChem (CID 4918905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).