3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide

C14H28N2O2S — CID 64932588

IUPAC3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESCCC1CNC(C(C)(C)C)CN1C1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O2S/c1-5-11-8-15-13(14(2,3)4)9-16(11)12-6-7-19(17,18)10-12/h11-13,15H,5-10H2,1-4H3
InChIKeyFLPXJUDJKWXFJY-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.27
Rot. Bonds2

About 3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide

3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide (PubChem CID 64932588) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide
PubChem CID64932588
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide
SMILESCCC1CNC(C(C)(C)C)CN1C1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O2S/c1-5-11-8-15-13(14(2,3)4)9-16(11)12-6-7-19(17,18)10-12/h11-13,15H,5-10H2,1-4H3
InChIKeyFLPXJUDJKWXFJY-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-tert-butyl-2-ethylpiperazin-1-yl)thiane 1,1-dioxide
CID 64935035
5-tert-butyl-2-ethyl-1-(4-ethylcyclohexyl)piperazine
CID 64948153
5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine
CID 64941461
3-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)thiolane 1,1-dioxide
CID 115824911
5-tert-butyl-2-ethyl-1-(2-methoxycyclopentyl)piperazine
CID 64947348
5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine
CID 82737366
3-(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)thiane 1,1-dioxide
CID 64939489
2-ethyl-5-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954867
2,5-ditert-butyl-1-cyclohexylpiperazine
CID 82937382
3-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]thiolane 1,1-dioxide
CID 64949167
5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine
CID 113478280
3-(5,5-diethyl-2-methylpiperazin-1-yl)thiolane 1,1-dioxide
CID 64930017

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide (CID 64932588) is 3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide is CCC1CNC(C(C)(C)C)CN1C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide?
The InChIKey is FLPXJUDJKWXFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-5-11-8-15-13(14(2,3)4)9-16(11)12-6-7-19(17,18)10-12/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide?
3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide has a molecular weight of 288.46 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-ethylpiperazin-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 64932588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).