2-(4-ethylsulfonylpiperazin-1-yl)ethanamine

C8H19N3O2S — CID 28705822

IUPAC2-(4-ethylsulfonylpiperazin-1-yl)ethanamine
SMILESCCS(=O)(=O)N1CCN(CCN)CC1
InChIInChI=1S/C8H19N3O2S/c1-2-14(12,13)11-7-5-10(4-3-9)6-8-11/h2-9H2,1H3
InChIKeyYFMQXMSYZYQDFV-UHFFFAOYSA-N
MW221.33 g/mol
LogP-1.09
Rot. Bonds4

About 2-(4-ethylsulfonylpiperazin-1-yl)ethanamine

2-(4-ethylsulfonylpiperazin-1-yl)ethanamine (PubChem CID 28705822) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-(4-ethylsulfonylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylsulfonylpiperazin-1-yl)ethanamine
PubChem CID28705822
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name2-(4-ethylsulfonylpiperazin-1-yl)ethanamine
SMILESCCS(=O)(=O)N1CCN(CCN)CC1
InChIInChI=1S/C8H19N3O2S/c1-2-14(12,13)11-7-5-10(4-3-9)6-8-11/h2-9H2,1H3
InChIKeyYFMQXMSYZYQDFV-UHFFFAOYSA-N
XLogP-1.09
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)ethanamine (CID 28705822) is 2-(4-ethylsulfonylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-ethylsulfonylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-ethylsulfonylpiperazin-1-yl)ethanamine is CCS(=O)(=O)N1CCN(CCN)CC1.
What is the InChIKey of 2-(4-ethylsulfonylpiperazin-1-yl)ethanamine?
The InChIKey is YFMQXMSYZYQDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-2-14(12,13)11-7-5-10(4-3-9)6-8-11/h2-9H2,1H3.
What are the key properties of 2-(4-ethylsulfonylpiperazin-1-yl)ethanamine?
2-(4-ethylsulfonylpiperazin-1-yl)ethanamine has a molecular weight of 221.33 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 28705822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).