N-methyl-N-sulfinatoethanamine;rubidium(1+)

C3H8NO2RbS — CID 59334798

IUPACN-methyl-N-sulfinatoethanamine;rubidium(1+)
SMILESCCN(C)[S-](=O)=O.[Rb+]
InChIInChI=1S/C3H8NO2S.Rb/c1-3-4(2)7(5)6;/h3H2,1-2H3;/q-1;+1
InChIKeyRRKLBNOWTQKUKZ-UHFFFAOYSA-N
MW207.64 g/mol
LogP-2.83
Rot. Bonds2

About N-methyl-N-sulfinatoethanamine;rubidium(1+)

N-methyl-N-sulfinatoethanamine;rubidium(1+) (PubChem CID 59334798) has the molecular formula C3H8NO2RbS and a molecular weight of 207.64 g/mol. Its IUPAC name is N-methyl-N-sulfinatoethanamine;rubidium(1+).

Molecular Properties

Compound NameN-methyl-N-sulfinatoethanamine;rubidium(1+)
PubChem CID59334798
Molecular FormulaC3H8NO2RbS
Molecular Weight207.64 g/mol
Exact Mass206.94
IUPAC NameN-methyl-N-sulfinatoethanamine;rubidium(1+)
SMILESCCN(C)[S-](=O)=O.[Rb+]
InChIInChI=1S/C3H8NO2S.Rb/c1-3-4(2)7(5)6;/h3H2,1-2H3;/q-1;+1
InChIKeyRRKLBNOWTQKUKZ-UHFFFAOYSA-N
XLogP-2.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.64
LogP ≤ 5-2.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methylsulfamoyl chloride
CID 22637008
(Ethyl(methyl)sulfamoyl)amine
CID 43263646
N-ethyl-N-methylsulfamoyl fluoride
CID 56965514
N-ethyl-N-methylsulfonamide
CID 20558807
N,N-diethylsulfamate
CID 22395564
Ethyl(methyl)sulfamic acid
CID 22636891
N-ethyl-N-sulfinatoethanamine;rubidium(1+)
CID 57770385
N-(dimethylsulfamoyl)-N-methylethanamine
CID 59254944
[Disulfanylsulfonyl(methyl)amino]ethane
CID 91598912
lithium N-ethyl-N-methylsulfamate
CID 156663388
N-ethyl-N-sulfinatoethanamine;methane;rubidium(1+)
CID 157135289
[Ethyl(methyl)sulfamoyl]azanium
CID 163564462

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-sulfinatoethanamine;rubidium(1+)?
The IUPAC name of N-methyl-N-sulfinatoethanamine;rubidium(1+) (CID 59334798) is N-methyl-N-sulfinatoethanamine;rubidium(1+).
What is the SMILES notation for N-methyl-N-sulfinatoethanamine;rubidium(1+)?
The canonical SMILES for N-methyl-N-sulfinatoethanamine;rubidium(1+) is CCN(C)[S-](=O)=O.[Rb+].
What is the InChIKey of N-methyl-N-sulfinatoethanamine;rubidium(1+)?
The InChIKey is RRKLBNOWTQKUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO2S.Rb/c1-3-4(2)7(5)6;/h3H2,1-2H3;/q-1;+1.
What are the key properties of N-methyl-N-sulfinatoethanamine;rubidium(1+)?
N-methyl-N-sulfinatoethanamine;rubidium(1+) has a molecular weight of 207.64 g/mol, XLogP of -2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-sulfinatoethanamine;rubidium(1+) is sourced from PubChem (CID 59334798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).