2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

C15H30N2O2S — CID 81040229

IUPAC2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCCCC1CN(CC2CCCS2(=O)=O)C(C(C)C)CN1
InChIInChI=1S/C15H30N2O2S/c1-4-6-13-10-17(15(9-16-13)12(2)3)11-14-7-5-8-20(14,18)19/h12-16H,4-11H2,1-3H3
InChIKeyZWISEZCNRJBUBF-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.66
Rot. Bonds5

About 2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (PubChem CID 81040229) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
PubChem CID81040229
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESCCCC1CN(CC2CCCS2(=O)=O)C(C(C)C)CN1
InChIInChI=1S/C15H30N2O2S/c1-4-6-13-10-17(15(9-16-13)12(2)3)11-14-7-5-8-20(14,18)19/h12-16H,4-11H2,1-3H3
InChIKeyZWISEZCNRJBUBF-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine
CID 64838582
2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 81039834
1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 103141224
1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 65097056
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
1-(3,3-dimethylbutyl)-2-propan-2-yl-5-propylpiperazine
CID 64838194
3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64948473
1-cyclooctyl-2-propan-2-yl-5-propylpiperazine
CID 64931569
2-[(2-ethyl-5-methylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 81040147
1-(3-methoxy-2-methylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 64946200
2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine
CID 64840141
1-(cyclobutylmethyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64934807

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (CID 81040229) is 2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is CCCC1CN(CC2CCCS2(=O)=O)C(C(C)C)CN1.
What is the InChIKey of 2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is ZWISEZCNRJBUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-4-6-13-10-17(15(9-16-13)12(2)3)11-14-7-5-8-20(14,18)19/h12-16H,4-11H2,1-3H3.
What are the key properties of 2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 302.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 81040229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).