[sulfinato(sulfinatooxy)amino]methane

CH3NO5S2-2 — CID 155136486

IUPAC[sulfinato(sulfinatooxy)amino]methane
SMILESCN(OS(=O)[O-])S(=O)[O-]
InChIInChI=1S/CH5NO5S2/c1-2(8(3)4)7-9(5)6/h1H3,(H,3,4)(H,5,6)/p-2
InChIKeyNLSXZGYBEXCFQE-UHFFFAOYSA-L
MW173.17 g/mol
LogP-1.56
Rot. Bonds3

About [sulfinato(sulfinatooxy)amino]methane

[sulfinato(sulfinatooxy)amino]methane (PubChem CID 155136486) has the molecular formula CH3NO5S2-2 and a molecular weight of 173.17 g/mol. Its IUPAC name is [sulfinato(sulfinatooxy)amino]methane.

Molecular Properties

Compound Name[sulfinato(sulfinatooxy)amino]methane
PubChem CID155136486
Molecular FormulaCH3NO5S2-2
Molecular Weight173.17 g/mol
Exact Mass172.95
IUPAC Name[sulfinato(sulfinatooxy)amino]methane
SMILESCN(OS(=O)[O-])S(=O)[O-]
InChIInChI=1S/CH5NO5S2/c1-2(8(3)4)7-9(5)6/h1H3,(H,3,4)(H,5,6)/p-2
InChIKeyNLSXZGYBEXCFQE-UHFFFAOYSA-L
XLogP-1.56
TPSA92.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [sulfinato(sulfinatooxy)amino]methane?
The IUPAC name of [sulfinato(sulfinatooxy)amino]methane (CID 155136486) is [sulfinato(sulfinatooxy)amino]methane.
What is the SMILES notation for [sulfinato(sulfinatooxy)amino]methane?
The canonical SMILES for [sulfinato(sulfinatooxy)amino]methane is CN(OS(=O)[O-])S(=O)[O-].
What is the InChIKey of [sulfinato(sulfinatooxy)amino]methane?
The InChIKey is NLSXZGYBEXCFQE-UHFFFAOYSA-L. The full InChI is InChI=1S/CH5NO5S2/c1-2(8(3)4)7-9(5)6/h1H3,(H,3,4)(H,5,6)/p-2.
What are the key properties of [sulfinato(sulfinatooxy)amino]methane?
[sulfinato(sulfinatooxy)amino]methane has a molecular weight of 173.17 g/mol, XLogP of -1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [sulfinato(sulfinatooxy)amino]methane is sourced from PubChem (CID 155136486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).