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

C3H9NO2S — CID 56626855

IUPACN-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethanamine
SMILESC=S(=O)(O)NCC
InChIInChI=1S/C3H9NO2S/c1-3-4-7(2,5)6/h2-3H2,1H3,(H2,4,5,6)
InChIKeyYJLNCZLTLIVKLC-UHFFFAOYSA-N
MW123.18 g/mol
LogP-0.30
Rot. Bonds2

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

N-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethanamine (PubChem CID 56626855) has the molecular formula C3H9NO2S and a molecular weight of 123.18 g/mol. Its IUPAC name is N-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethanamine.

Molecular Properties

Compound NameN-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethanamine
PubChem CID56626855
Molecular FormulaC3H9NO2S
Molecular Weight123.18 g/mol
Exact Mass123.04
IUPAC NameN-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethanamine
SMILESC=S(=O)(O)NCC
InChIInChI=1S/C3H9NO2S/c1-3-4-7(2,5)6/h2-3H2,1H3,(H2,4,5,6)
InChIKeyYJLNCZLTLIVKLC-UHFFFAOYSA-N
XLogP-0.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethanamine?
The IUPAC name of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethanamine (CID 56626855) is N-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethanamine.
What is the SMILES notation for N-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethanamine?
The canonical SMILES for N-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethanamine is C=S(=O)(O)NCC.
What is the InChIKey of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethanamine?
The InChIKey is YJLNCZLTLIVKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S/c1-3-4-7(2,5)6/h2-3H2,1H3,(H2,4,5,6).
What are the key properties of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethanamine?
N-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethanamine has a molecular weight of 123.18 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxy-methylidene-oxo-λ6-sulfanyl)ethanamine is sourced from PubChem (CID 56626855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).