2-(dihydroxyamino)-1-hydroxyethanesulfonic acid

C2H7NO6S — CID 138503474

IUPAC2-(dihydroxyamino)-1-hydroxyethanesulfonic acid
SMILESO=S(=O)(O)C(O)CN(O)O
InChIInChI=1S/C2H7NO6S/c4-2(1-3(5)6)10(7,8)9/h2,4-6H,1H2,(H,7,8,9)
InChIKeyCERVLGKKEORDDE-UHFFFAOYSA-N
MW173.15 g/mol
LogP-1.73
Rot. Bonds3

About 2-(dihydroxyamino)-1-hydroxyethanesulfonic acid

2-(dihydroxyamino)-1-hydroxyethanesulfonic acid (PubChem CID 138503474) has the molecular formula C2H7NO6S and a molecular weight of 173.15 g/mol. Its IUPAC name is 2-(dihydroxyamino)-1-hydroxyethanesulfonic acid.

Molecular Properties

Compound Name2-(dihydroxyamino)-1-hydroxyethanesulfonic acid
PubChem CID138503474
Molecular FormulaC2H7NO6S
Molecular Weight173.15 g/mol
Exact Mass173.00
IUPAC Name2-(dihydroxyamino)-1-hydroxyethanesulfonic acid
SMILESO=S(=O)(O)C(O)CN(O)O
InChIInChI=1S/C2H7NO6S/c4-2(1-3(5)6)10(7,8)9/h2,4-6H,1H2,(H,7,8,9)
InChIKeyCERVLGKKEORDDE-UHFFFAOYSA-N
XLogP-1.73
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-1-hydroxyethanesulfonic acid
CID 90014017
sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride
CID 173490221
CID 162308641
CID 162308641
1,3-bis(dihydroxyamino)propan-2-ol
CID 139697819
sodium;2-amino-1-hydroxyethanesulfonic acid;hydride
CID 175556811
1,3-dihydroxybutane-1,4-disulfonic acid
CID 90795169
3-amino-1-hydroxy-3-oxopropane-1-sulfonic acid
CID 103574313
1-hydroxy-2-[2-hydroxyethyl-(1-hydroxy-4-methylpentan-2-yl)amino]ethanesulfonic acid
CID 167409200
1-hydroxypentane-1-sulfonic acid
CID 3016389
1-hydroxyoctane-1-sulfonic acid
CID 22365526
CID 170846812
CID 170846812
3-ethylsulfanyl-1-hydroxypropane-1-sulfonic acid
CID 103574069

Frequently Asked Questions

What is the IUPAC name of 2-(dihydroxyamino)-1-hydroxyethanesulfonic acid?
The IUPAC name of 2-(dihydroxyamino)-1-hydroxyethanesulfonic acid (CID 138503474) is 2-(dihydroxyamino)-1-hydroxyethanesulfonic acid.
What is the SMILES notation for 2-(dihydroxyamino)-1-hydroxyethanesulfonic acid?
The canonical SMILES for 2-(dihydroxyamino)-1-hydroxyethanesulfonic acid is O=S(=O)(O)C(O)CN(O)O.
What is the InChIKey of 2-(dihydroxyamino)-1-hydroxyethanesulfonic acid?
The InChIKey is CERVLGKKEORDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO6S/c4-2(1-3(5)6)10(7,8)9/h2,4-6H,1H2,(H,7,8,9).
What are the key properties of 2-(dihydroxyamino)-1-hydroxyethanesulfonic acid?
2-(dihydroxyamino)-1-hydroxyethanesulfonic acid has a molecular weight of 173.15 g/mol, XLogP of -1.73, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihydroxyamino)-1-hydroxyethanesulfonic acid is sourced from PubChem (CID 138503474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).