[ethyl-(sulfinatoamino)amino]ethane

C4H11N2O2S- — CID 57171552

IUPAC[ethyl-(sulfinatoamino)amino]ethane
SMILESCCN(CC)NS(=O)[O-]
InChIInChI=1S/C4H12N2O2S/c1-3-6(4-2)5-9(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1
InChIKeyKFXULMJKVHYCDX-UHFFFAOYSA-M
MW151.21 g/mol
LogP-0.37
Rot. Bonds4

About [ethyl-(sulfinatoamino)amino]ethane

[ethyl-(sulfinatoamino)amino]ethane (PubChem CID 57171552) has the molecular formula C4H11N2O2S- and a molecular weight of 151.21 g/mol. Its IUPAC name is [ethyl-(sulfinatoamino)amino]ethane.

Molecular Properties

Compound Name[ethyl-(sulfinatoamino)amino]ethane
PubChem CID57171552
Molecular FormulaC4H11N2O2S-
Molecular Weight151.21 g/mol
Exact Mass151.05
IUPAC Name[ethyl-(sulfinatoamino)amino]ethane
SMILESCCN(CC)NS(=O)[O-]
InChIInChI=1S/C4H12N2O2S/c1-3-6(4-2)5-9(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1
InChIKeyKFXULMJKVHYCDX-UHFFFAOYSA-M
XLogP-0.37
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 ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

CID 87376343
CID 87376343
propane sulfite
CID 21270602
[methyl(sulfinatocarbamoyl)amino]ethane
CID 163554716
diethylaminosulfamic acid
CID 87969127
CID 175427190
CID 175427190
2-(sulfinatoamino)butane
CID 22272905
(sulfinatoamino)methylsulfonylethane
CID 91198760
N'-ethyl-2-methyl-N'-propylprop-2-enehydrazide
CID 150112536
4-(sulfinatoamino)heptane
CID 57467022
N,N-diethylethanamine;methylsulfinylmethane
CID 86583882
carbanide;methanesulfinate;tungsten(2+)
CID 22951813
ethanamine;(sulfinatoamino)benzene
CID 68776959

Frequently Asked Questions

What is the IUPAC name of [ethyl-(sulfinatoamino)amino]ethane?
The IUPAC name of [ethyl-(sulfinatoamino)amino]ethane (CID 57171552) is [ethyl-(sulfinatoamino)amino]ethane.
What is the SMILES notation for [ethyl-(sulfinatoamino)amino]ethane?
The canonical SMILES for [ethyl-(sulfinatoamino)amino]ethane is CCN(CC)NS(=O)[O-].
What is the InChIKey of [ethyl-(sulfinatoamino)amino]ethane?
The InChIKey is KFXULMJKVHYCDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N2O2S/c1-3-6(4-2)5-9(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1.
What are the key properties of [ethyl-(sulfinatoamino)amino]ethane?
[ethyl-(sulfinatoamino)amino]ethane has a molecular weight of 151.21 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl-(sulfinatoamino)amino]ethane is sourced from PubChem (CID 57171552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).