(sulfinatoamino)methylsulfonylethane

C3H8NO4S2- — CID 91198760

IUPAC(sulfinatoamino)methylsulfonylethane
SMILESCCS(=O)(=O)CNS(=O)[O-]
InChIInChI=1S/C3H9NO4S2/c1-2-10(7,8)3-4-9(5)6/h4H,2-3H2,1H3,(H,5,6)/p-1
InChIKeyVSFIUPUZPHUHON-UHFFFAOYSA-M
MW186.23 g/mol
LogP-1.24
Rot. Bonds4

About (sulfinatoamino)methylsulfonylethane

(sulfinatoamino)methylsulfonylethane (PubChem CID 91198760) has the molecular formula C3H8NO4S2- and a molecular weight of 186.23 g/mol. Its IUPAC name is (sulfinatoamino)methylsulfonylethane.

Molecular Properties

Compound Name(sulfinatoamino)methylsulfonylethane
PubChem CID91198760
Molecular FormulaC3H8NO4S2-
Molecular Weight186.23 g/mol
Exact Mass185.99
IUPAC Name(sulfinatoamino)methylsulfonylethane
SMILESCCS(=O)(=O)CNS(=O)[O-]
InChIInChI=1S/C3H9NO4S2/c1-2-10(7,8)3-4-9(5)6/h4H,2-3H2,1H3,(H,5,6)/p-1
InChIKeyVSFIUPUZPHUHON-UHFFFAOYSA-M
XLogP-1.24
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (sulfinatoamino)methylsulfonylethane?
The IUPAC name of (sulfinatoamino)methylsulfonylethane (CID 91198760) is (sulfinatoamino)methylsulfonylethane.
What is the SMILES notation for (sulfinatoamino)methylsulfonylethane?
The canonical SMILES for (sulfinatoamino)methylsulfonylethane is CCS(=O)(=O)CNS(=O)[O-].
What is the InChIKey of (sulfinatoamino)methylsulfonylethane?
The InChIKey is VSFIUPUZPHUHON-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9NO4S2/c1-2-10(7,8)3-4-9(5)6/h4H,2-3H2,1H3,(H,5,6)/p-1.
What are the key properties of (sulfinatoamino)methylsulfonylethane?
(sulfinatoamino)methylsulfonylethane has a molecular weight of 186.23 g/mol, XLogP of -1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfinatoamino)methylsulfonylethane is sourced from PubChem (CID 91198760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).