1-amino-2-[methyl(sulfinato)amino]ethane

C3H9N2O2S- — CID 57089330

IUPAC1-amino-2-[methyl(sulfinato)amino]ethane
SMILESCN(CCN)S(=O)[O-]
InChIInChI=1S/C3H10N2O2S/c1-5(3-2-4)8(6)7/h2-4H2,1H3,(H,6,7)/p-1
InChIKeyGYBZEGRCOYLPLU-UHFFFAOYSA-M
MW137.18 g/mol
LogP-1.33
Rot. Bonds3

About 1-amino-2-[methyl(sulfinato)amino]ethane

1-amino-2-[methyl(sulfinato)amino]ethane (PubChem CID 57089330) has the molecular formula C3H9N2O2S- and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-amino-2-[methyl(sulfinato)amino]ethane.

Molecular Properties

Compound Name1-amino-2-[methyl(sulfinato)amino]ethane
PubChem CID57089330
Molecular FormulaC3H9N2O2S-
Molecular Weight137.18 g/mol
Exact Mass137.04
IUPAC Name1-amino-2-[methyl(sulfinato)amino]ethane
SMILESCN(CCN)S(=O)[O-]
InChIInChI=1S/C3H10N2O2S/c1-5(3-2-4)8(6)7/h2-4H2,1H3,(H,6,7)/p-1
InChIKeyGYBZEGRCOYLPLU-UHFFFAOYSA-M
XLogP-1.33
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-amino-2-[methyl(sulfinato)amino]ethane?
The IUPAC name of 1-amino-2-[methyl(sulfinato)amino]ethane (CID 57089330) is 1-amino-2-[methyl(sulfinato)amino]ethane.
What is the SMILES notation for 1-amino-2-[methyl(sulfinato)amino]ethane?
The canonical SMILES for 1-amino-2-[methyl(sulfinato)amino]ethane is CN(CCN)S(=O)[O-].
What is the InChIKey of 1-amino-2-[methyl(sulfinato)amino]ethane?
The InChIKey is GYBZEGRCOYLPLU-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H10N2O2S/c1-5(3-2-4)8(6)7/h2-4H2,1H3,(H,6,7)/p-1.
What are the key properties of 1-amino-2-[methyl(sulfinato)amino]ethane?
1-amino-2-[methyl(sulfinato)amino]ethane has a molecular weight of 137.18 g/mol, XLogP of -1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[methyl(sulfinato)amino]ethane is sourced from PubChem (CID 57089330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).