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

C14H30N2O2S — CID 65097314

IUPAC2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1CCCS(=O)(=O)CC
InChIInChI=1S/C14H30N2O2S/c1-5-13-10-15-14(12(3)4)11-16(13)8-7-9-19(17,18)6-2/h12-15H,5-11H2,1-4H3
InChIKeyCMAVWEOFZWCXAW-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.52
Rot. Bonds7

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

2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine (PubChem CID 65097314) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine
PubChem CID65097314
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1CCCS(=O)(=O)CC
InChIInChI=1S/C14H30N2O2S/c1-5-13-10-15-14(12(3)4)11-16(13)8-7-9-19(17,18)6-2/h12-15H,5-11H2,1-4H3
InChIKeyCMAVWEOFZWCXAW-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-hexyl-5-propan-2-ylpiperazine
CID 64833921
2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214
1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine
CID 114210392
5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine
CID 65096899
(1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol
CID 82242691
1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64834120
2,5-di(propan-2-yl)-1-(2-propylsulfonylethyl)piperazine
CID 106732887
2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937339
2-ethyl-5-propan-2-yl-1-(2,2,3-trimethylbutyl)piperazine
CID 114102126
2-ethyl-1-[(2-methylcyclopentyl)methyl]-5-propan-2-ylpiperazine
CID 107420868
2-ethyl-1-hexan-2-yl-5-propan-2-ylpiperazine
CID 64936630
1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine
CID 64832139

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine?
The IUPAC name of 2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine (CID 65097314) is 2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine is CCC1CNC(C(C)C)CN1CCCS(=O)(=O)CC.
What is the InChIKey of 2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine?
The InChIKey is CMAVWEOFZWCXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-13-10-15-14(12(3)4)11-16(13)8-7-9-19(17,18)6-2/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine?
2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine has a molecular weight of 290.47 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 65097314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).