acetic acid;ethanesulfonic acid;1-ethoxypiperazine

C10H24N2O6S — CID 174521726

IUPACacetic acid;ethanesulfonic acid;1-ethoxypiperazine
SMILESCC(=O)O.CCON1CCNCC1.CCS(=O)(=O)O
InChIInChI=1S/C6H14N2O.C2H6O3S.C2H4O2/c1-2-9-8-5-3-7-4-6-8;1-2-6(3,4)5;1-2(3)4/h7H,2-6H2,1H3;2H2,1H3,(H,3,4,5);1H3,(H,3,4)
InChIKeyJGMHXLBLDUNMIM-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.17
Rot. Bonds3

About acetic acid;ethanesulfonic acid;1-ethoxypiperazine

acetic acid;ethanesulfonic acid;1-ethoxypiperazine (PubChem CID 174521726) has the molecular formula C10H24N2O6S and a molecular weight of 300.38 g/mol. Its IUPAC name is acetic acid;ethanesulfonic acid;1-ethoxypiperazine.

Molecular Properties

Compound Nameacetic acid;ethanesulfonic acid;1-ethoxypiperazine
PubChem CID174521726
Molecular FormulaC10H24N2O6S
Molecular Weight300.38 g/mol
Exact Mass300.14
IUPAC Nameacetic acid;ethanesulfonic acid;1-ethoxypiperazine
SMILESCC(=O)O.CCON1CCNCC1.CCS(=O)(=O)O
InChIInChI=1S/C6H14N2O.C2H6O3S.C2H4O2/c1-2-9-8-5-3-7-4-6-8;1-2-6(3,4)5;1-2(3)4/h7H,2-6H2,1H3;2H2,1H3,(H,3,4,5);1H3,(H,3,4)
InChIKeyJGMHXLBLDUNMIM-UHFFFAOYSA-N
XLogP-0.17
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

ethanesulfonic acid;1-ethylpiperazine
CID 18427549
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916
piperazin-1-yl acetate
CID 54492305
piperazin-1-yl hydrogen sulfate
CID 57466020
piperazin-1-yl propanoate
CID 12863406
sodium;hydride;piperazin-1-yl ethanesulfonate
CID 175023018
acetic acid;ethane-1,2-diol;ethanesulfonic acid
CID 87347528
dipiperazin-1-yl oxalate
CID 57296724
(Z)-but-2-enedioic acid;1-ethylpiperazine
CID 175604137
dipiperazin-1-yl butanedioate
CID 69276754
2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride
CID 174325240
sodium;ethanesulfonic acid;morpholine;chloride
CID 175170062

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethanesulfonic acid;1-ethoxypiperazine?
The IUPAC name of acetic acid;ethanesulfonic acid;1-ethoxypiperazine (CID 174521726) is acetic acid;ethanesulfonic acid;1-ethoxypiperazine.
What is the SMILES notation for acetic acid;ethanesulfonic acid;1-ethoxypiperazine?
The canonical SMILES for acetic acid;ethanesulfonic acid;1-ethoxypiperazine is CC(=O)O.CCON1CCNCC1.CCS(=O)(=O)O.
What is the InChIKey of acetic acid;ethanesulfonic acid;1-ethoxypiperazine?
The InChIKey is JGMHXLBLDUNMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2H6O3S.C2H4O2/c1-2-9-8-5-3-7-4-6-8;1-2-6(3,4)5;1-2(3)4/h7H,2-6H2,1H3;2H2,1H3,(H,3,4,5);1H3,(H,3,4).
What are the key properties of acetic acid;ethanesulfonic acid;1-ethoxypiperazine?
acetic acid;ethanesulfonic acid;1-ethoxypiperazine has a molecular weight of 300.38 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethanesulfonic acid;1-ethoxypiperazine is sourced from PubChem (CID 174521726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).