bis(2-hydroxyethyl(trimethyl)azanium);sulfite

C10H28N2O5S — CID 87093704

IUPACbis(2-hydroxyethyl(trimethyl)azanium);sulfite
SMILESC[N+](C)(C)CCO.C[N+](C)(C)CCO.O=S([O-])[O-]
InChIInChI=1S/2C5H14NO.H2O3S/c2*1-6(2,3)4-5-7;1-4(2)3/h2*7H,4-5H2,1-3H3;(H2,1,2,3)/q2*+1;/p-2
InChIKeySTPWAXIMVWECTI-UHFFFAOYSA-L
MW288.41 g/mol
LogP-1.63
Rot. Bonds4

About bis(2-hydroxyethyl(trimethyl)azanium);sulfite

bis(2-hydroxyethyl(trimethyl)azanium);sulfite (PubChem CID 87093704) has the molecular formula C10H28N2O5S and a molecular weight of 288.41 g/mol. Its IUPAC name is bis(2-hydroxyethyl(trimethyl)azanium);sulfite.

Molecular Properties

Compound Namebis(2-hydroxyethyl(trimethyl)azanium);sulfite
PubChem CID87093704
Molecular FormulaC10H28N2O5S
Molecular Weight288.41 g/mol
Exact Mass288.17
IUPAC Namebis(2-hydroxyethyl(trimethyl)azanium);sulfite
SMILESC[N+](C)(C)CCO.C[N+](C)(C)CCO.O=S([O-])[O-]
InChIInChI=1S/2C5H14NO.H2O3S/c2*1-6(2,3)4-5-7;1-4(2)3/h2*7H,4-5H2,1-3H3;(H2,1,2,3)/q2*+1;/p-2
InChIKeySTPWAXIMVWECTI-UHFFFAOYSA-L
XLogP-1.63
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
bis(2-hydroxyethyl(trimethyl)azanium);selenate
CID 86566768
tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate
CID 57350182
carbonic acid;hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
CID 173335741
2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
CID 175143989
2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
CID 173388257

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl(trimethyl)azanium);sulfite?
The IUPAC name of bis(2-hydroxyethyl(trimethyl)azanium);sulfite (CID 87093704) is bis(2-hydroxyethyl(trimethyl)azanium);sulfite.
What is the SMILES notation for bis(2-hydroxyethyl(trimethyl)azanium);sulfite?
The canonical SMILES for bis(2-hydroxyethyl(trimethyl)azanium);sulfite is C[N+](C)(C)CCO.C[N+](C)(C)CCO.O=S([O-])[O-].
What is the InChIKey of bis(2-hydroxyethyl(trimethyl)azanium);sulfite?
The InChIKey is STPWAXIMVWECTI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H14NO.H2O3S/c2*1-6(2,3)4-5-7;1-4(2)3/h2*7H,4-5H2,1-3H3;(H2,1,2,3)/q2*+1;/p-2.
What are the key properties of bis(2-hydroxyethyl(trimethyl)azanium);sulfite?
bis(2-hydroxyethyl(trimethyl)azanium);sulfite has a molecular weight of 288.41 g/mol, XLogP of -1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl(trimethyl)azanium);sulfite is sourced from PubChem (CID 87093704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).