(sulfinatoamino)ethane

C2H6NO2S- — CID 19013208

IUPAC(sulfinatoamino)ethane
SMILESCCNS(=O)[O-]
InChIInChI=1S/C2H7NO2S/c1-2-3-6(4)5/h3H,2H2,1H3,(H,4,5)/p-1
InChIKeyBCWVHVPMCWFEJH-UHFFFAOYSA-M
MW108.14 g/mol
LogP-0.61
Rot. Bonds2

About (sulfinatoamino)ethane

(sulfinatoamino)ethane (PubChem CID 19013208) has the molecular formula C2H6NO2S- and a molecular weight of 108.14 g/mol. Its IUPAC name is (sulfinatoamino)ethane.

Molecular Properties

Compound Name(sulfinatoamino)ethane
PubChem CID19013208
Molecular FormulaC2H6NO2S-
Molecular Weight108.14 g/mol
Exact Mass108.01
IUPAC Name(sulfinatoamino)ethane
SMILESCCNS(=O)[O-]
InChIInChI=1S/C2H7NO2S/c1-2-3-6(4)5/h3H,2H2,1H3,(H,4,5)/p-1
InChIKeyBCWVHVPMCWFEJH-UHFFFAOYSA-M
XLogP-0.61
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethylsulfamic acid
CID 244259
Ethylsulfamoyl chloride
CID 11040810
(Ethylsulfamoyl)amine
CID 21263690
Mercapto-ethylamine
CID 18653762
N-(2-aminoethyl)sulfonamide
CID 20220197
N-ethylsulfamoyl fluoride
CID 19597133
1-Fluoro-2-(sulfinatoamino)ethane
CID 90749593
N-Ethyl-N'-methylsulfuric diamide
CID 14415698
potassium N-ethyl-sulfamate
CID 23681202
N-ethylsulfamate
CID 4440819
(Sulfinoamino)ethane
CID 18359531
1-(Sulfinatoamino)propane
CID 19067788

Frequently Asked Questions

What is the IUPAC name of (sulfinatoamino)ethane?
The IUPAC name of (sulfinatoamino)ethane (CID 19013208) is (sulfinatoamino)ethane.
What is the SMILES notation for (sulfinatoamino)ethane?
The canonical SMILES for (sulfinatoamino)ethane is CCNS(=O)[O-].
What is the InChIKey of (sulfinatoamino)ethane?
The InChIKey is BCWVHVPMCWFEJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7NO2S/c1-2-3-6(4)5/h3H,2H2,1H3,(H,4,5)/p-1.
What are the key properties of (sulfinatoamino)ethane?
(sulfinatoamino)ethane has a molecular weight of 108.14 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfinatoamino)ethane is sourced from PubChem (CID 19013208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).