[methyl(sulfinato)amino]ethane

C3H8NO2S- — CID 20558807

IUPAC[methyl(sulfinato)amino]ethane
SMILESCCN(C)S(=O)[O-]
InChIInChI=1S/C3H9NO2S/c1-3-4(2)7(5)6/h3H2,1-2H3,(H,5,6)/p-1
InChIKeyNSCAAMKARLEQFN-UHFFFAOYSA-M
MW122.17 g/mol
LogP-0.27
Rot. Bonds2

About [methyl(sulfinato)amino]ethane

[methyl(sulfinato)amino]ethane (PubChem CID 20558807) has the molecular formula C3H8NO2S- and a molecular weight of 122.17 g/mol. Its IUPAC name is [methyl(sulfinato)amino]ethane.

Molecular Properties

Compound Name[methyl(sulfinato)amino]ethane
PubChem CID20558807
Molecular FormulaC3H8NO2S-
Molecular Weight122.17 g/mol
Exact Mass122.03
IUPAC Name[methyl(sulfinato)amino]ethane
SMILESCCN(C)S(=O)[O-]
InChIInChI=1S/C3H9NO2S/c1-3-4(2)7(5)6/h3H2,1-2H3,(H,5,6)/p-1
InChIKeyNSCAAMKARLEQFN-UHFFFAOYSA-M
XLogP-0.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [methyl(sulfinato)amino]ethane?
The IUPAC name of [methyl(sulfinato)amino]ethane (CID 20558807) is [methyl(sulfinato)amino]ethane.
What is the SMILES notation for [methyl(sulfinato)amino]ethane?
The canonical SMILES for [methyl(sulfinato)amino]ethane is CCN(C)S(=O)[O-].
What is the InChIKey of [methyl(sulfinato)amino]ethane?
The InChIKey is NSCAAMKARLEQFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9NO2S/c1-3-4(2)7(5)6/h3H2,1-2H3,(H,5,6)/p-1.
What are the key properties of [methyl(sulfinato)amino]ethane?
[methyl(sulfinato)amino]ethane has a molecular weight of 122.17 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(sulfinato)amino]ethane is sourced from PubChem (CID 20558807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).