N-ethyl-N-sulfinatoethanamine;methane;rubidium(1+)

C5H14NO2RbS — CID 157135289

IUPACN-ethyl-N-sulfinatoethanamine;methane;rubidium(1+)
SMILESC.CCN(CC)[S-](=O)=O.[Rb+]
InChIInChI=1S/C4H10NO2S.CH4.Rb/c1-3-5(4-2)8(6)7;;/h3-4H2,1-2H3;1H4;/q-1;;+1
InChIKeyGNGGKFZWLJHJAV-UHFFFAOYSA-N
MW237.71 g/mol
LogP-1.81
Rot. Bonds3

About N-ethyl-N-sulfinatoethanamine;methane;rubidium(1+)

N-ethyl-N-sulfinatoethanamine;methane;rubidium(1+) (PubChem CID 157135289) has the molecular formula C5H14NO2RbS and a molecular weight of 237.71 g/mol. Its IUPAC name is N-ethyl-N-sulfinatoethanamine;methane;rubidium(1+).

Molecular Properties

Compound NameN-ethyl-N-sulfinatoethanamine;methane;rubidium(1+)
PubChem CID157135289
Molecular FormulaC5H14NO2RbS
Molecular Weight237.71 g/mol
Exact Mass236.99
IUPAC NameN-ethyl-N-sulfinatoethanamine;methane;rubidium(1+)
SMILESC.CCN(CC)[S-](=O)=O.[Rb+]
InChIInChI=1S/C4H10NO2S.CH4.Rb/c1-3-5(4-2)8(6)7;;/h3-4H2,1-2H3;1H4;/q-1;;+1
InChIKeyGNGGKFZWLJHJAV-UHFFFAOYSA-N
XLogP-1.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 5-1.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-sulfinatoethanamine;methane;rubidium(1+)?
The IUPAC name of N-ethyl-N-sulfinatoethanamine;methane;rubidium(1+) (CID 157135289) is N-ethyl-N-sulfinatoethanamine;methane;rubidium(1+).
What is the SMILES notation for N-ethyl-N-sulfinatoethanamine;methane;rubidium(1+)?
The canonical SMILES for N-ethyl-N-sulfinatoethanamine;methane;rubidium(1+) is C.CCN(CC)[S-](=O)=O.[Rb+].
What is the InChIKey of N-ethyl-N-sulfinatoethanamine;methane;rubidium(1+)?
The InChIKey is GNGGKFZWLJHJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO2S.CH4.Rb/c1-3-5(4-2)8(6)7;;/h3-4H2,1-2H3;1H4;/q-1;;+1.
What are the key properties of N-ethyl-N-sulfinatoethanamine;methane;rubidium(1+)?
N-ethyl-N-sulfinatoethanamine;methane;rubidium(1+) has a molecular weight of 237.71 g/mol, XLogP of -1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-sulfinatoethanamine;methane;rubidium(1+) is sourced from PubChem (CID 157135289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).