N-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine

C4H11NO2S — CID 56628301

IUPACN-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine
SMILESCCC=S(=O)(O)NC
InChIInChI=1S/C4H11NO2S/c1-3-4-8(6,7)5-2/h4H,3H2,1-2H3,(H2,5,6,7)
InChIKeyYWURRSADBHNOES-UHFFFAOYSA-N
MW137.20 g/mol
LogP0.09
Rot. Bonds2

About N-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine

N-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine (PubChem CID 56628301) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is N-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine.

Molecular Properties

Compound NameN-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine
PubChem CID56628301
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC NameN-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine
SMILESCCC=S(=O)(O)NC
InChIInChI=1S/C4H11NO2S/c1-3-4-8(6,7)5-2/h4H,3H2,1-2H3,(H2,5,6,7)
InChIKeyYWURRSADBHNOES-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine?
The IUPAC name of N-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine (CID 56628301) is N-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine.
What is the SMILES notation for N-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine?
The canonical SMILES for N-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine is CCC=S(=O)(O)NC.
What is the InChIKey of N-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine?
The InChIKey is YWURRSADBHNOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-3-4-8(6,7)5-2/h4H,3H2,1-2H3,(H2,5,6,7).
What are the key properties of N-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine?
N-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine 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-(hydroxy-oxo-propylidene-λ6-sulfanyl)methanamine is sourced from PubChem (CID 56628301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).