1-(methylamino)-2-(sulfinatoamino)ethane

C3H9N2O2S- — CID 57164317

IUPAC1-(methylamino)-2-(sulfinatoamino)ethane
SMILESCNCCNS(=O)[O-]
InChIInChI=1S/C3H10N2O2S/c1-4-2-3-5-8(6)7/h4-5H,2-3H2,1H3,(H,6,7)/p-1
InChIKeyBZAXOFIVLPAOFN-UHFFFAOYSA-M
MW137.18 g/mol
LogP-1.41
Rot. Bonds4

About 1-(methylamino)-2-(sulfinatoamino)ethane

1-(methylamino)-2-(sulfinatoamino)ethane (PubChem CID 57164317) has the molecular formula C3H9N2O2S- and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-(methylamino)-2-(sulfinatoamino)ethane.

Molecular Properties

Compound Name1-(methylamino)-2-(sulfinatoamino)ethane
PubChem CID57164317
Molecular FormulaC3H9N2O2S-
Molecular Weight137.18 g/mol
Exact Mass137.04
IUPAC Name1-(methylamino)-2-(sulfinatoamino)ethane
SMILESCNCCNS(=O)[O-]
InChIInChI=1S/C3H10N2O2S/c1-4-2-3-5-8(6)7/h4-5H,2-3H2,1H3,(H,6,7)/p-1
InChIKeyBZAXOFIVLPAOFN-UHFFFAOYSA-M
XLogP-1.41
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-(sulfinatoamino)ethane?
The IUPAC name of 1-(methylamino)-2-(sulfinatoamino)ethane (CID 57164317) is 1-(methylamino)-2-(sulfinatoamino)ethane.
What is the SMILES notation for 1-(methylamino)-2-(sulfinatoamino)ethane?
The canonical SMILES for 1-(methylamino)-2-(sulfinatoamino)ethane is CNCCNS(=O)[O-].
What is the InChIKey of 1-(methylamino)-2-(sulfinatoamino)ethane?
The InChIKey is BZAXOFIVLPAOFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H10N2O2S/c1-4-2-3-5-8(6)7/h4-5H,2-3H2,1H3,(H,6,7)/p-1.
What are the key properties of 1-(methylamino)-2-(sulfinatoamino)ethane?
1-(methylamino)-2-(sulfinatoamino)ethane has a molecular weight of 137.18 g/mol, XLogP of -1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-(sulfinatoamino)ethane is sourced from PubChem (CID 57164317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).