5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine

C14H30N2OS — CID 113488306

IUPAC5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1CCCS(C)=O
InChIInChI=1S/C14H30N2OS/c1-6-12-10-15-13(14(2,3)4)11-16(12)8-7-9-18(5)17/h12-13,15H,6-11H2,1-5H3
InChIKeyLGGBCLWRHCVOES-UHFFFAOYSA-N
MW274.47 g/mol
LogP1.85
Rot. Bonds5

About 5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine

5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine (PubChem CID 113488306) has the molecular formula C14H30N2OS and a molecular weight of 274.47 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
PubChem CID113488306
Molecular FormulaC14H30N2OS
Molecular Weight274.47 g/mol
Exact Mass274.21
IUPAC Name5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1CCCS(C)=O
InChIInChI=1S/C14H30N2OS/c1-6-12-10-15-13(14(2,3)4)11-16(12)8-7-9-18(5)17/h12-13,15H,6-11H2,1-5H3
InChIKeyLGGBCLWRHCVOES-UHFFFAOYSA-N
XLogP1.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
CID 64941761
5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
CID 113488302
3-(5-tert-butyl-2-ethylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64935199
5-tert-butyl-1-heptyl-2-propylpiperazine
CID 64841631
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627
5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine
CID 83169228
1-(2-but-3-enoxyethyl)-5-tert-butyl-2-ethylpiperazine
CID 106409163
5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine
CID 113488310
5-tert-butyl-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpiperazine
CID 107165359
2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64940800
5-tert-butyl-2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64840877
2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64941766

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine (CID 113488306) is 5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine is CCC1CNC(C(C)(C)C)CN1CCCS(C)=O.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine?
The InChIKey is LGGBCLWRHCVOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2OS/c1-6-12-10-15-13(14(2,3)4)11-16(12)8-7-9-18(5)17/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine?
5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine has a molecular weight of 274.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine is sourced from PubChem (CID 113488306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).