[ethyl(sulfino)amino]ethane

C4H11NO2S — CID 12650411

IUPAC[ethyl(sulfino)amino]ethane
SMILESCCN(CC)S(=O)O
InChIInChI=1S/C4H11NO2S/c1-3-5(4-2)8(6)7/h3-4H2,1-2H3,(H,6,7)
InChIKeyUDFGHLSKKWGLEC-UHFFFAOYSA-N
MW137.20 g/mol
LogP0.46
Rot. Bonds3

About [ethyl(sulfino)amino]ethane

[ethyl(sulfino)amino]ethane (PubChem CID 12650411) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is [ethyl(sulfino)amino]ethane.

Molecular Properties

Compound Name[ethyl(sulfino)amino]ethane
PubChem CID12650411
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC Name[ethyl(sulfino)amino]ethane
SMILESCCN(CC)S(=O)O
InChIInChI=1S/C4H11NO2S/c1-3-5(4-2)8(6)7/h3-4H2,1-2H3,(H,6,7)
InChIKeyUDFGHLSKKWGLEC-UHFFFAOYSA-N
XLogP0.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [ethyl(sulfino)amino]ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [ethyl(sulfino)amino]ethane?
The IUPAC name of [ethyl(sulfino)amino]ethane (CID 12650411) is [ethyl(sulfino)amino]ethane.
What is the SMILES notation for [ethyl(sulfino)amino]ethane?
The canonical SMILES for [ethyl(sulfino)amino]ethane is CCN(CC)S(=O)O.
What is the InChIKey of [ethyl(sulfino)amino]ethane?
The InChIKey is UDFGHLSKKWGLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-3-5(4-2)8(6)7/h3-4H2,1-2H3,(H,6,7).
What are the key properties of [ethyl(sulfino)amino]ethane?
[ethyl(sulfino)amino]ethane has a molecular weight of 137.20 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(sulfino)amino]ethane is sourced from PubChem (CID 12650411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).