1-ethylsulfonylpiperazine;hydrochloride

C6H15ClN2O2S — CID 46743465

IUPAC1-ethylsulfonylpiperazine;hydrochloride
SMILESCCS(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-2-11(9,10)8-5-3-7-4-6-8;/h7H,2-6H2,1H3;1H
InChIKeyUBNGLICBEIFQOC-UHFFFAOYSA-N
MW214.72 g/mol
LogP-0.34
Rot. Bonds2

About 1-ethylsulfonylpiperazine;hydrochloride

1-ethylsulfonylpiperazine;hydrochloride (PubChem CID 46743465) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 1-ethylsulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-ethylsulfonylpiperazine;hydrochloride
PubChem CID46743465
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC Name1-ethylsulfonylpiperazine;hydrochloride
SMILESCCS(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-2-11(9,10)8-5-3-7-4-6-8;/h7H,2-6H2,1H3;1H
InChIKeyUBNGLICBEIFQOC-UHFFFAOYSA-N
XLogP-0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Ethanesulfonyl)piperazine
CID 415294
1-(Methylsulfonyl)piperazine
CID 709161
1-Methanesulfonylpiperazine hydrochloride
CID 16265612
1-(2-Methanesulfonylethyl)piperazine dihydrochloride
CID 17749885
1-(Cyclopropanesulfonyl)piperazine hydrochloride
CID 66617637
1-(1-Propanesulfonyl)piperazine
CID 832241
1-(Propane-2-sulfonyl)piperazine hydrochloride
CID 46743460
1-(Propane-1-sulfonyl)piperazine hydrochloride
CID 46743466
2-(Piperazin-1-yl)ethane-1-sulfonamide
CID 54595802
2-piperazin-1-ylethanesulfonic Acid
CID 447318
4-(Methylsulfonyl)piperazin-1-ium chloride
CID 68731830
1-(2-(Methylsulfonyl)ethyl)piperazine
CID 3801959

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylpiperazine;hydrochloride?
The IUPAC name of 1-ethylsulfonylpiperazine;hydrochloride (CID 46743465) is 1-ethylsulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-ethylsulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-ethylsulfonylpiperazine;hydrochloride is CCS(=O)(=O)N1CCNCC1.Cl.
What is the InChIKey of 1-ethylsulfonylpiperazine;hydrochloride?
The InChIKey is UBNGLICBEIFQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c1-2-11(9,10)8-5-3-7-4-6-8;/h7H,2-6H2,1H3;1H.
What are the key properties of 1-ethylsulfonylpiperazine;hydrochloride?
1-ethylsulfonylpiperazine;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylpiperazine;hydrochloride is sourced from PubChem (CID 46743465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).