5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine

C13H28N2OS — CID 113488310

IUPAC5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine
SMILESCCC1CN(CCCS(C)=O)C(C(C)C)CN1
InChIInChI=1S/C13H28N2OS/c1-5-12-10-15(7-6-8-17(4)16)13(9-14-12)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyBANJWSSGMVPXKO-UHFFFAOYSA-N
MW260.45 g/mol
LogP1.46
Rot. Bonds6

About 5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine

5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine (PubChem CID 113488310) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine
PubChem CID113488310
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine
SMILESCCC1CN(CCCS(C)=O)C(C(C)C)CN1
InChIInChI=1S/C13H28N2OS/c1-5-12-10-15(7-6-8-17(4)16)13(9-14-12)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyBANJWSSGMVPXKO-UHFFFAOYSA-N
XLogP1.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008717
5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
CID 64841740
5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106732978
5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
CID 102908491
5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674
5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706
2-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
2-butan-2-yl-5-ethyl-1-heptylpiperazine
CID 64840963
5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
CID 64942232
5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 114516829
1-(3-ethylsulfonylpropyl)-2-propan-2-yl-5-propylpiperazine
CID 65097056

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine (CID 113488310) is 5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine is CCC1CN(CCCS(C)=O)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine?
The InChIKey is BANJWSSGMVPXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-5-12-10-15(7-6-8-17(4)16)13(9-14-12)11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine?
5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine has a molecular weight of 260.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 113488310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).