2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine

C14H30N2O2S — CID 65096895

IUPAC2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine
SMILESCCC1(CC)CNC(C)CN1CCCS(=O)(=O)CC
InChIInChI=1S/C14H30N2O2S/c1-5-14(6-2)12-15-13(4)11-16(14)9-8-10-19(17,18)7-3/h13,15H,5-12H2,1-4H3
InChIKeyPMMLDCCGHHXWLK-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.66
Rot. Bonds7

About 2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine

2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine (PubChem CID 65096895) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine.

Molecular Properties

Compound Name2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine
PubChem CID65096895
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine
SMILESCCC1(CC)CNC(C)CN1CCCS(=O)(=O)CC
InChIInChI=1S/C14H30N2O2S/c1-5-14(6-2)12-15-13(4)11-16(14)9-8-10-19(17,18)7-3/h13,15H,5-12H2,1-4H3
InChIKeyPMMLDCCGHHXWLK-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine?
The IUPAC name of 2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine (CID 65096895) is 2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine.
What is the SMILES notation for 2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine?
The canonical SMILES for 2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine is CCC1(CC)CNC(C)CN1CCCS(=O)(=O)CC.
What is the InChIKey of 2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine?
The InChIKey is PMMLDCCGHHXWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-14(6-2)12-15-13(4)11-16(14)9-8-10-19(17,18)7-3/h13,15H,5-12H2,1-4H3.
What are the key properties of 2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine?
2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine has a molecular weight of 290.47 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-(3-ethylsulfonylpropyl)-5-methylpiperazine is sourced from PubChem (CID 65096895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).