azanium 2-aminoethanesulfonate

C2H10N2O3S — CID 44554695

IUPACazanium 2-aminoethanesulfonate
SMILESNCCS(=O)(=O)[O-].[NH4+]
InChIInChI=1S/C2H7NO3S.H3N/c3-1-2-7(4,5)6;/h1-3H2,(H,4,5,6);1H3
InChIKeyPXMFTSPIHCAKHZ-UHFFFAOYSA-N
MW142.18 g/mol
LogP-1.13
Rot. Bonds2

About azanium 2-aminoethanesulfonate

azanium 2-aminoethanesulfonate (PubChem CID 44554695) has the molecular formula C2H10N2O3S and a molecular weight of 142.18 g/mol. Its IUPAC name is azanium 2-aminoethanesulfonate.

Molecular Properties

Compound Nameazanium 2-aminoethanesulfonate
PubChem CID44554695
Molecular FormulaC2H10N2O3S
Molecular Weight142.18 g/mol
Exact Mass142.04
IUPAC Nameazanium 2-aminoethanesulfonate
SMILESNCCS(=O)(=O)[O-].[NH4+]
InChIInChI=1S/C2H7NO3S.H3N/c3-1-2-7(4,5)6;/h1-3H2,(H,4,5,6);1H3
InChIKeyPXMFTSPIHCAKHZ-UHFFFAOYSA-N
XLogP-1.13
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Taurine
CID 1123
Tramiprosate
CID 1646
2-Ammonioethanesulfonate
CID 4068592
Sodium Taurate
CID 23666486
Potassium Taurate
CID 23698856
Tramiprosate Sodium
CID 23663660
2-Ammonioethanesulfinate
CID 25244088
2-Aminoethanesulfonate
CID 5460761
Magnesium taurate
CID 13343447
3-Azaniumylpropane-1-sulfonate
CID 6991996
2-(Methylsulfonyl)ethanamine
CID 4340561
Taurinamide
CID 101263

Frequently Asked Questions

What is the IUPAC name of azanium 2-aminoethanesulfonate?
The IUPAC name of azanium 2-aminoethanesulfonate (CID 44554695) is azanium 2-aminoethanesulfonate.
What is the SMILES notation for azanium 2-aminoethanesulfonate?
The canonical SMILES for azanium 2-aminoethanesulfonate is NCCS(=O)(=O)[O-].[NH4+].
What is the InChIKey of azanium 2-aminoethanesulfonate?
The InChIKey is PXMFTSPIHCAKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3S.H3N/c3-1-2-7(4,5)6;/h1-3H2,(H,4,5,6);1H3.
What are the key properties of azanium 2-aminoethanesulfonate?
azanium 2-aminoethanesulfonate has a molecular weight of 142.18 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-aminoethanesulfonate is sourced from PubChem (CID 44554695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).