1-(dimethylamino)-2-(sulfinatoamino)ethane

C4H11N2O2S- — CID 57157022

IUPAC1-(dimethylamino)-2-(sulfinatoamino)ethane
SMILESCN(C)CCNS(=O)[O-]
InChIInChI=1S/C4H12N2O2S/c1-6(2)4-3-5-9(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1
InChIKeyRNHLNYNAEQXFAU-UHFFFAOYSA-M
MW151.21 g/mol
LogP-1.07
Rot. Bonds4

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

1-(dimethylamino)-2-(sulfinatoamino)ethane (PubChem CID 57157022) has the molecular formula C4H11N2O2S- and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(dimethylamino)-2-(sulfinatoamino)ethane.

Molecular Properties

Compound Name1-(dimethylamino)-2-(sulfinatoamino)ethane
PubChem CID57157022
Molecular FormulaC4H11N2O2S-
Molecular Weight151.21 g/mol
Exact Mass151.05
IUPAC Name1-(dimethylamino)-2-(sulfinatoamino)ethane
SMILESCN(C)CCNS(=O)[O-]
InChIInChI=1S/C4H12N2O2S/c1-6(2)4-3-5-9(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1
InChIKeyRNHLNYNAEQXFAU-UHFFFAOYSA-M
XLogP-1.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 5-1.07
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-(dimethylamino)-2-(sulfinatoamino)ethane?
The IUPAC name of 1-(dimethylamino)-2-(sulfinatoamino)ethane (CID 57157022) is 1-(dimethylamino)-2-(sulfinatoamino)ethane.
What is the SMILES notation for 1-(dimethylamino)-2-(sulfinatoamino)ethane?
The canonical SMILES for 1-(dimethylamino)-2-(sulfinatoamino)ethane is CN(C)CCNS(=O)[O-].
What is the InChIKey of 1-(dimethylamino)-2-(sulfinatoamino)ethane?
The InChIKey is RNHLNYNAEQXFAU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N2O2S/c1-6(2)4-3-5-9(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1.
What are the key properties of 1-(dimethylamino)-2-(sulfinatoamino)ethane?
1-(dimethylamino)-2-(sulfinatoamino)ethane has a molecular weight of 151.21 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-(sulfinatoamino)ethane is sourced from PubChem (CID 57157022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).