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

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Related Compounds

4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3238758
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CID 5310439
1-[1-(4-Benzenesulfonyl-phenyl)-ethyl]-piperazine
CID 44312081
N-[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404538
1-(2-(2-(Methylsulfonyl)phenyl)-1-phenylethyl)piperazine
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Ethanesulfonic acid biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amide
CID 44578267
Propane-1-sulfonic acid biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amide
CID 44578268
Propane-2-sulfonic acid biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amide
CID 44578314
2-Benzyl-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359867
1-(3-methylphenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine
CID 72014632
N-[2-(2-phenyl-1,3-thiazolidin-3-yl)ethyl]octadecan-1-amine
CID 11431117
N-benzyltetrahydrothiophen-3-amine 1,1-dioxide
CID 2896541

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).