1,1-dihydroxy-2-(sulfinatoamino)ethane

C2H6NO4S- — CID 91361283

IUPAC1,1-dihydroxy-2-(sulfinatoamino)ethane
SMILESO=S([O-])NCC(O)O
InChIInChI=1S/C2H7NO4S/c4-2(5)1-3-8(6)7/h2-5H,1H2,(H,6,7)/p-1
InChIKeyWFXOWMXUUFCNJG-UHFFFAOYSA-M
MW140.14 g/mol
LogP-2.32
Rot. Bonds3

About 1,1-dihydroxy-2-(sulfinatoamino)ethane

1,1-dihydroxy-2-(sulfinatoamino)ethane (PubChem CID 91361283) has the molecular formula C2H6NO4S- and a molecular weight of 140.14 g/mol. Its IUPAC name is 1,1-dihydroxy-2-(sulfinatoamino)ethane.

Molecular Properties

Compound Name1,1-dihydroxy-2-(sulfinatoamino)ethane
PubChem CID91361283
Molecular FormulaC2H6NO4S-
Molecular Weight140.14 g/mol
Exact Mass140.00
IUPAC Name1,1-dihydroxy-2-(sulfinatoamino)ethane
SMILESO=S([O-])NCC(O)O
InChIInChI=1S/C2H7NO4S/c4-2(5)1-3-8(6)7/h2-5H,1H2,(H,6,7)/p-1
InChIKeyWFXOWMXUUFCNJG-UHFFFAOYSA-M
XLogP-2.32
TPSA92.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-2.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 1,1-dihydroxy-2-(sulfinatoamino)ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(sulfinatoamino)pentane
CID 57093103
(sulfinatoamino)methylsulfonylethane
CID 91198760
1-hydroxy-4-(sulfinatoamino)butane
CID 57002604
1-oxo-2-(sulfinatoamino)ethane
CID 89216073
CID 18914755
CID 18914755
1-hydroxy-5-(sulfinatoamino)pentane
CID 91602257
3-methyl-1-(sulfinatoamino)but-2-ene
CID 175175707
2-[propan-2-yl-[(sulfinatoamino)methyl]amino]propane
CID 57302557
(2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane
CID 174440581
cyano-(sulfinatoamino)methane
CID 58899516
1-nitro-2-(sulfinatoamino)ethane
CID 91512243
1-methoxy-1-oxo-3-(sulfinatoamino)propane
CID 91063569

Frequently Asked Questions

What is the IUPAC name of 1,1-dihydroxy-2-(sulfinatoamino)ethane?
The IUPAC name of 1,1-dihydroxy-2-(sulfinatoamino)ethane (CID 91361283) is 1,1-dihydroxy-2-(sulfinatoamino)ethane.
What is the SMILES notation for 1,1-dihydroxy-2-(sulfinatoamino)ethane?
The canonical SMILES for 1,1-dihydroxy-2-(sulfinatoamino)ethane is O=S([O-])NCC(O)O.
What is the InChIKey of 1,1-dihydroxy-2-(sulfinatoamino)ethane?
The InChIKey is WFXOWMXUUFCNJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7NO4S/c4-2(5)1-3-8(6)7/h2-5H,1H2,(H,6,7)/p-1.
What are the key properties of 1,1-dihydroxy-2-(sulfinatoamino)ethane?
1,1-dihydroxy-2-(sulfinatoamino)ethane has a molecular weight of 140.14 g/mol, XLogP of -2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dihydroxy-2-(sulfinatoamino)ethane is sourced from PubChem (CID 91361283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).