2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine

C13H28N2OS — CID 113486750

IUPAC2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1C(C)CS(C)=O
InChIInChI=1S/C13H28N2OS/c1-6-12-7-14-13(10(2)3)8-15(12)11(4)9-17(5)16/h10-14H,6-9H2,1-5H3
InChIKeyJWNLLVLIMXKLEO-UHFFFAOYSA-N
MW260.45 g/mol
LogP1.46
Rot. Bonds5

About 2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine

2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine (PubChem CID 113486750) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine
PubChem CID113486750
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1C(C)CS(C)=O
InChIInChI=1S/C13H28N2OS/c1-6-12-7-14-13(10(2)3)8-15(12)11(4)9-17(5)16/h10-14H,6-9H2,1-5H3
InChIKeyJWNLLVLIMXKLEO-UHFFFAOYSA-N
XLogP1.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-ethyl-1-hexan-2-yl-5-propan-2-ylpiperazine
CID 64936630
2-ethyl-1-(1-phenylpropan-2-yl)-5-propan-2-ylpiperazine
CID 64937812
2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-propan-2-ylpiperazine
CID 64936688
3-ethyl-2-(1-methylsulfinylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 113486761
5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine
CID 64936824
2-ethyl-5-propan-2-yl-1-(1-thiophen-2-ylpropyl)piperazine
CID 64937948
1-(1-methoxypropan-2-yl)-5-propan-2-yl-2-propylpiperazine
CID 113473149
2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937339
2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 65097314
2-ethyl-5-propan-2-yl-1-(2,2,3-trimethylbutyl)piperazine
CID 114102126
2-ethyl-1-hexyl-5-propan-2-ylpiperazine
CID 64833921
2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938399

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine?
The IUPAC name of 2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine (CID 113486750) is 2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine is CCC1CNC(C(C)C)CN1C(C)CS(C)=O.
What is the InChIKey of 2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine?
The InChIKey is JWNLLVLIMXKLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-6-12-7-14-13(10(2)3)8-15(12)11(4)9-17(5)16/h10-14H,6-9H2,1-5H3.
What are the key properties of 2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine?
2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine has a molecular weight of 260.45 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-methylsulfinylpropan-2-yl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 113486750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).