5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine

C12H26N2O2S — CID 64841740

IUPAC5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
SMILESCCC1CN(CCS(C)(=O)=O)C(C(C)C)CN1
InChIInChI=1S/C12H26N2O2S/c1-5-11-9-14(6-7-17(4,15)16)12(8-13-11)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyOQULVGHFCZXBRC-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.74
Rot. Bonds5

About 5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine

5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine (PubChem CID 64841740) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
PubChem CID64841740
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
SMILESCCC1CN(CCS(C)(=O)=O)C(C(C)C)CN1
InChIInChI=1S/C12H26N2O2S/c1-5-11-9-14(6-7-17(4,15)16)12(8-13-11)10(2)3/h10-13H,5-9H2,1-4H3
InChIKeyOQULVGHFCZXBRC-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106732978
5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674
5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine
CID 113488310
1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 65097056
5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
CID 102908491
5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008717
5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 114516829
5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
CID 64942232
2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64849321
2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine
CID 106732887
5-(2-methylpropyl)-1-(2-methylsulfonylethyl)-2-propylpiperazine
CID 64847770
5-ethyl-1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64948246

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine (CID 64841740) is 5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine is CCC1CN(CCS(C)(=O)=O)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine?
The InChIKey is OQULVGHFCZXBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-5-11-9-14(6-7-17(4,15)16)12(8-13-11)10(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine?
5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine has a molecular weight of 262.42 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64841740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).