1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid

C17H32N2O6S — CID 2902914

IUPAC1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid
SMILESCCCS(=O)(=O)N1CCN(C2CCCCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C15H30N2O2S.C2H2O4/c1-2-14-20(18,19)17-12-10-16(11-13-17)15-8-6-4-3-5-7-9-15;3-1(4)2(5)6/h15H,2-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyMWFBAMRYIQEFHL-UHFFFAOYSA-N
MW392.52 g/mol
LogP1.61
Rot. Bonds4

About 1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid

1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid (PubChem CID 2902914) has the molecular formula C17H32N2O6S and a molecular weight of 392.52 g/mol. Its IUPAC name is 1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid
PubChem CID2902914
Molecular FormulaC17H32N2O6S
Molecular Weight392.52 g/mol
Exact Mass392.20
IUPAC Name1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid
SMILESCCCS(=O)(=O)N1CCN(C2CCCCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C15H30N2O2S.C2H2O4/c1-2-14-20(18,19)17-12-10-16(11-13-17)15-8-6-4-3-5-7-9-15;3-1(4)2(5)6/h15H,2-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyMWFBAMRYIQEFHL-UHFFFAOYSA-N
XLogP1.61
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid 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-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid?
The IUPAC name of 1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid (CID 2902914) is 1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid.
What is the SMILES notation for 1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid?
The canonical SMILES for 1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid is CCCS(=O)(=O)N1CCN(C2CCCCCCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid?
The InChIKey is MWFBAMRYIQEFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S.C2H2O4/c1-2-14-20(18,19)17-12-10-16(11-13-17)15-8-6-4-3-5-7-9-15;3-1(4)2(5)6/h15H,2-14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid?
1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid has a molecular weight of 392.52 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-4-propylsulfonylpiperazine;oxalic acid is sourced from PubChem (CID 2902914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).