4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide

C15H30N2O2S — CID 64935035

IUPAC4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide
SMILESCCC1CNC(C(C)(C)C)CN1C1CCS(=O)(=O)CC1
InChIInChI=1S/C15H30N2O2S/c1-5-12-10-16-14(15(2,3)4)11-17(12)13-6-8-20(18,19)9-7-13/h12-14,16H,5-11H2,1-4H3
InChIKeyWARWVEZNBIFVGV-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.66
Rot. Bonds2

About 4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide

4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide (PubChem CID 64935035) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide
PubChem CID64935035
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide
SMILESCCC1CNC(C(C)(C)C)CN1C1CCS(=O)(=O)CC1
InChIInChI=1S/C15H30N2O2S/c1-5-12-10-16-14(15(2,3)4)11-17(12)13-6-8-20(18,19)9-7-13/h12-14,16H,5-11H2,1-4H3
InChIKeyWARWVEZNBIFVGV-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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

3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64932588
5-tert-butyl-2-ethyl-1-(4-ethylcyclohexyl)piperazine
CID 64948153
5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine
CID 64941461
5-tert-butyl-2-ethyl-1-(2-methoxycyclopentyl)piperazine
CID 64947348
5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine
CID 82737366
2,5-ditert-butyl-1-cyclohexylpiperazine
CID 82937382
2-ethyl-5-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954867
2-ethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937105
5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64940687
5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine
CID 113478280
5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine
CID 64941260
5-cyclopropyl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64935586

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide (CID 64935035) is 4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide is CCC1CNC(C(C)(C)C)CN1C1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide?
The InChIKey is WARWVEZNBIFVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-5-12-10-16-14(15(2,3)4)11-17(12)13-6-8-20(18,19)9-7-13/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide?
4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide has a molecular weight of 302.48 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide is sourced from PubChem (CID 64935035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).