1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane

C4H10NO4S- — CID 21327705

IUPAC1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane
SMILESO=S([O-])N(CCO)CCO
InChIInChI=1S/C4H11NO4S/c6-3-1-5(2-4-7)10(8)9/h6-7H,1-4H2,(H,8,9)/p-1
InChIKeyLJULYJQGQUOLPR-UHFFFAOYSA-M
MW168.19 g/mol
LogP-1.93
Rot. Bonds5

About 1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane

1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane (PubChem CID 21327705) has the molecular formula C4H10NO4S- and a molecular weight of 168.19 g/mol. Its IUPAC name is 1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane.

Molecular Properties

Compound Name1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane
PubChem CID21327705
Molecular FormulaC4H10NO4S-
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane
SMILESO=S([O-])N(CCO)CCO
InChIInChI=1S/C4H11NO4S/c6-3-1-5(2-4-7)10(8)9/h6-7H,1-4H2,(H,8,9)/p-1
InChIKeyLJULYJQGQUOLPR-UHFFFAOYSA-M
XLogP-1.93
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane
CID 118253094
hydroxymethanesulfinate
CID 3566445
2-[carboxymethyl(sulfinato)amino]-1-hydroxy-1-oxoethane
CID 57115316
sodium;ethane-1,2-diol;hydrogen sulfite
CID 23678211
2-[2-hydroxyethyl(methyl)amino]-2-oxoethanesulfinate
CID 174647403
N-(2-hydroxyethyl)-N-methylmethanesulfinamide
CID 130979316
CID 149433419
CID 149433419
bis(ethane-1,2-diol);2-hydroxyethyl sulfite
CID 174827171
sodium;benzoic acid;1-[propyl(sulfinato)amino]propane
CID 174466229
2-(2-hydroxyethylsulfinyl)ethanol
CID 18330
ethane-1,2-diol;oxo(sulfonyl)titanium
CID 19844452
1-[ethyl(sulfinato)amino]-4-methylpentane
CID 57195346

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane?
The IUPAC name of 1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane (CID 21327705) is 1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane.
What is the SMILES notation for 1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane?
The canonical SMILES for 1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane is O=S([O-])N(CCO)CCO.
What is the InChIKey of 1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane?
The InChIKey is LJULYJQGQUOLPR-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO4S/c6-3-1-5(2-4-7)10(8)9/h6-7H,1-4H2,(H,8,9)/p-1.
What are the key properties of 1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane?
1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane has a molecular weight of 168.19 g/mol, XLogP of -1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane is sourced from PubChem (CID 21327705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).