3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide

C16H24N2O2S — CID 64932194

IUPAC3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESCC1(C)CN(C2CCS(=O)(=O)C2)C(c2ccccc2)CN1
InChIInChI=1S/C16H24N2O2S/c1-16(2)12-18(14-8-9-21(19,20)11-14)15(10-17-16)13-6-4-3-5-7-13/h3-7,14-15,17H,8-12H2,1-2H3
InChIKeyAEIMPDOWRYHDDV-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.60
Rot. Bonds2

About 3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide

3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide (PubChem CID 64932194) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide
PubChem CID64932194
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESCC1(C)CN(C2CCS(=O)(=O)C2)C(c2ccccc2)CN1
InChIInChI=1S/C16H24N2O2S/c1-16(2)12-18(14-8-9-21(19,20)11-14)15(10-17-16)13-6-4-3-5-7-13/h3-7,14-15,17H,8-12H2,1-2H3
InChIKeyAEIMPDOWRYHDDV-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide 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 3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide (CID 64932194) is 3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide is CC1(C)CN(C2CCS(=O)(=O)C2)C(c2ccccc2)CN1.
What is the InChIKey of 3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide?
The InChIKey is AEIMPDOWRYHDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(2)12-18(14-8-9-21(19,20)11-14)15(10-17-16)13-6-4-3-5-7-13/h3-7,14-15,17H,8-12H2,1-2H3.
What are the key properties of 3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide?
3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide has a molecular weight of 308.45 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyl-2-phenylpiperazin-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 64932194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).