3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide

C15H30N2O2S — CID 64948473

IUPAC3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESCCCC1CN(C2(C)CCS(=O)(=O)C2)C(C(C)C)CN1
InChIInChI=1S/C15H30N2O2S/c1-5-6-13-10-17(14(9-16-13)12(2)3)15(4)7-8-20(18,19)11-15/h12-14,16H,5-11H2,1-4H3
InChIKeyOUJDLFWXASJGIV-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.66
Rot. Bonds4

About 3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide

3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide (PubChem CID 64948473) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide
PubChem CID64948473
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESCCCC1CN(C2(C)CCS(=O)(=O)C2)C(C(C)C)CN1
InChIInChI=1S/C15H30N2O2S/c1-5-6-13-10-17(14(9-16-13)12(2)3)15(4)7-8-20(18,19)11-15/h12-14,16H,5-11H2,1-4H3
InChIKeyOUJDLFWXASJGIV-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

2-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
CID 81040229
2-propan-2-yl-5-propyl-1-(4-propylcyclohexyl)piperazine
CID 64946683
2-ethyl-1-(1-methylcyclopentyl)-5-propylpiperazine
CID 64940330
1-cyclooctyl-2-propan-2-yl-5-propylpiperazine
CID 64931569
1-(3-methylpentan-2-yl)-2-propan-2-yl-5-propylpiperazine
CID 64934765
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 65097056
1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine
CID 64838582
1-(3,3-dimethylbutyl)-2-propan-2-yl-5-propylpiperazine
CID 64838194
6-ethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpiperazine-2,5-dione
CID 64967822
1-(2-methyloxolan-3-yl)-2-propan-2-yl-5-propylpiperazine
CID 82737019
1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 103141224

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide (CID 64948473) is 3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide is CCCC1CN(C2(C)CCS(=O)(=O)C2)C(C(C)C)CN1.
What is the InChIKey of 3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide?
The InChIKey is OUJDLFWXASJGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-5-6-13-10-17(14(9-16-13)12(2)3)15(4)7-8-20(18,19)11-15/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide?
3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide has a molecular weight of 302.48 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-propan-2-yl-5-propylpiperazin-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 64948473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).