2-amino-1-hydroperoxyethanesulfonic acid

C2H7NO5S — CID 164577721

IUPAC2-amino-1-hydroperoxyethanesulfonic acid
SMILESNCC(OO)S(=O)(=O)O
InChIInChI=1S/C2H7NO5S/c3-1-2(8-4)9(5,6)7/h2,4H,1,3H2,(H,5,6,7)
InChIKeyUHZCKZRPNNBMHD-UHFFFAOYSA-N
MW157.15 g/mol
LogP-1.35
Rot. Bonds3

About 2-amino-1-hydroperoxyethanesulfonic acid

2-amino-1-hydroperoxyethanesulfonic acid (PubChem CID 164577721) has the molecular formula C2H7NO5S and a molecular weight of 157.15 g/mol. Its IUPAC name is 2-amino-1-hydroperoxyethanesulfonic acid.

Molecular Properties

Compound Name2-amino-1-hydroperoxyethanesulfonic acid
PubChem CID164577721
Molecular FormulaC2H7NO5S
Molecular Weight157.15 g/mol
Exact Mass157.00
IUPAC Name2-amino-1-hydroperoxyethanesulfonic acid
SMILESNCC(OO)S(=O)(=O)O
InChIInChI=1S/C2H7NO5S/c3-1-2(8-4)9(5,6)7/h2,4H,1,3H2,(H,5,6,7)
InChIKeyUHZCKZRPNNBMHD-UHFFFAOYSA-N
XLogP-1.35
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-oxobutane-2-sulfonic acid
CID 18617870
(2R)-1-aminopropane-2-sulfonic acid
CID 55285188
1-aminopentane-2-sulfonic acid
CID 88729087
potassium 1-aminopropane-2-sulfonic acid
CID 23077128
sodium;2-amino-1-hydroxyethanesulfonic acid;hydride
CID 175556811
1-amino-3-methoxypropane-2-sulfonic acid
CID 87311399
1-sulfooxypropane-1-sulfonic acid
CID 87984449
2-ethylsulfonyl-2-methoxyethanamine
CID 57318629
1,5-diaminopentane-2-sulfonic acid
CID 130176465
(2R)-3-amino-2-hydroxypropane-1-sulfonic acid
CID 154444546
1-(4-hydroxybut-2-ynoxy)propane-1-sulfonic acid
CID 154290146
5-hydroperoxyhexane-2-sulfonic acid
CID 20769707

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-hydroperoxyethanesulfonic acid?
The IUPAC name of 2-amino-1-hydroperoxyethanesulfonic acid (CID 164577721) is 2-amino-1-hydroperoxyethanesulfonic acid.
What is the SMILES notation for 2-amino-1-hydroperoxyethanesulfonic acid?
The canonical SMILES for 2-amino-1-hydroperoxyethanesulfonic acid is NCC(OO)S(=O)(=O)O.
What is the InChIKey of 2-amino-1-hydroperoxyethanesulfonic acid?
The InChIKey is UHZCKZRPNNBMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO5S/c3-1-2(8-4)9(5,6)7/h2,4H,1,3H2,(H,5,6,7).
What are the key properties of 2-amino-1-hydroperoxyethanesulfonic acid?
2-amino-1-hydroperoxyethanesulfonic acid has a molecular weight of 157.15 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-hydroperoxyethanesulfonic acid is sourced from PubChem (CID 164577721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).