N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine

C4H11NO2S — CID 56635814

IUPACN-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine
SMILESCC=S(=O)(O)NCC
InChIInChI=1S/C4H11NO2S/c1-3-5-8(6,7)4-2/h4H,3H2,1-2H3,(H2,5,6,7)
InChIKeyWJQJXXAPVNPKLV-UHFFFAOYSA-N
MW137.20 g/mol
LogP0.09
Rot. Bonds2

About N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine

N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine (PubChem CID 56635814) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine.

Molecular Properties

Compound NameN-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine
PubChem CID56635814
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC NameN-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine
SMILESCC=S(=O)(O)NCC
InChIInChI=1S/C4H11NO2S/c1-3-5-8(6,7)4-2/h4H,3H2,1-2H3,(H2,5,6,7)
InChIKeyWJQJXXAPVNPKLV-UHFFFAOYSA-N
XLogP0.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine 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 N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine?
The IUPAC name of N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine (CID 56635814) is N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine.
What is the SMILES notation for N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine?
The canonical SMILES for N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine is CC=S(=O)(O)NCC.
What is the InChIKey of N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine?
The InChIKey is WJQJXXAPVNPKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-3-5-8(6,7)4-2/h4H,3H2,1-2H3,(H2,5,6,7).
What are the key properties of N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine?
N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine has a molecular weight of 137.20 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylidene-hydroxy-oxo-λ6-sulfanyl)ethanamine is sourced from PubChem (CID 56635814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).