1-(1-adamantyl)-4-methylsulfonylpiperazine

C15H26N2O2S — CID 17349309

IUPAC1-(1-adamantyl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C15H26N2O2S/c1-20(18,19)17-4-2-16(3-5-17)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,2-11H2,1H3
InChIKeyIDTBWYLJPDMZAA-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.53
Rot. Bonds2

About 1-(1-adamantyl)-4-methylsulfonylpiperazine

1-(1-adamantyl)-4-methylsulfonylpiperazine (PubChem CID 17349309) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-(1-adamantyl)-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(1-adamantyl)-4-methylsulfonylpiperazine
PubChem CID17349309
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-(1-adamantyl)-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C15H26N2O2S/c1-20(18,19)17-4-2-16(3-5-17)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,2-11H2,1H3
InChIKeyIDTBWYLJPDMZAA-UHFFFAOYSA-N
XLogP1.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-adamantyl)-4-methylsulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-4-methylsulfonylpiperazine?
The IUPAC name of 1-(1-adamantyl)-4-methylsulfonylpiperazine (CID 17349309) is 1-(1-adamantyl)-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(1-adamantyl)-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(1-adamantyl)-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(1-adamantyl)-4-methylsulfonylpiperazine?
The InChIKey is IDTBWYLJPDMZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-20(18,19)17-4-2-16(3-5-17)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,2-11H2,1H3.
What are the key properties of 1-(1-adamantyl)-4-methylsulfonylpiperazine?
1-(1-adamantyl)-4-methylsulfonylpiperazine has a molecular weight of 298.45 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-4-methylsulfonylpiperazine is sourced from PubChem (CID 17349309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).