azane;hydron;1-sulfoethanesulfonate

C2H9NO6S2 — CID 173184387

IUPACazane;hydron;1-sulfoethanesulfonate
SMILESCC(S(=O)(=O)[O-])S(=O)(=O)O.N.[H+]
InChIInChI=1S/C2H6O6S2.H3N/c1-2(9(3,4)5)10(6,7)8;/h2H,1H3,(H,3,4,5)(H,6,7,8);1H3
InChIKeyZYTPVYLRLQAQEZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.96
Rot. Bonds2

About azane;hydron;1-sulfoethanesulfonate

azane;hydron;1-sulfoethanesulfonate (PubChem CID 173184387) has the molecular formula C2H9NO6S2 and a molecular weight of 207.23 g/mol. Its IUPAC name is azane;hydron;1-sulfoethanesulfonate.

Molecular Properties

Compound Nameazane;hydron;1-sulfoethanesulfonate
PubChem CID173184387
Molecular FormulaC2H9NO6S2
Molecular Weight207.23 g/mol
Exact Mass206.99
IUPAC Nameazane;hydron;1-sulfoethanesulfonate
SMILESCC(S(=O)(=O)[O-])S(=O)(=O)O.N.[H+]
InChIInChI=1S/C2H6O6S2.H3N/c1-2(9(3,4)5)10(6,7)8;/h2H,1H3,(H,3,4,5)(H,6,7,8);1H3
InChIKeyZYTPVYLRLQAQEZ-UHFFFAOYSA-N
XLogP-0.96
TPSA146.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(tetramethylphosphanium);sulfate
CID 87132356
ethane-1,1-disulfonic acid;formamide
CID 175238260
sulfuric acid;tetramethylphosphanium
CID 87132357
azane;propan-2-ol;sulfuric acid
CID 174667034
sodium propane-2-sulfonic acid
CID 23363435
nickel(2+);bis(propane-2-sulfonate)
CID 18692784
ethane-1,1-disulfonic acid;ethanesulfonamide
CID 174583583
hydrogen sulfate;hydron;silver
CID 173307708
1-bromoethanesulfonate
CID 22728676
2-deuteriopropane-2-sulfonic acid
CID 172728862
azane;hydron;sulfuric acid
CID 174304234
azane;hydrogen sulfate;vanadium;sulfate
CID 171375501

Frequently Asked Questions

What is the IUPAC name of azane;hydron;1-sulfoethanesulfonate?
The IUPAC name of azane;hydron;1-sulfoethanesulfonate (CID 173184387) is azane;hydron;1-sulfoethanesulfonate.
What is the SMILES notation for azane;hydron;1-sulfoethanesulfonate?
The canonical SMILES for azane;hydron;1-sulfoethanesulfonate is CC(S(=O)(=O)[O-])S(=O)(=O)O.N.[H+].
What is the InChIKey of azane;hydron;1-sulfoethanesulfonate?
The InChIKey is ZYTPVYLRLQAQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O6S2.H3N/c1-2(9(3,4)5)10(6,7)8;/h2H,1H3,(H,3,4,5)(H,6,7,8);1H3.
What are the key properties of azane;hydron;1-sulfoethanesulfonate?
azane;hydron;1-sulfoethanesulfonate has a molecular weight of 207.23 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydron;1-sulfoethanesulfonate is sourced from PubChem (CID 173184387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).