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

C4H9NO3S — CID 57177798

IUPACN-(hydroxy-methylidene-oxo-λ6-sulfanyl)propanamide
SMILESC=S(=O)(O)NC(=O)CC
InChIInChI=1S/C4H9NO3S/c1-3-4(6)5-9(2,7)8/h2-3H2,1H3,(H2,5,6,7,8)
InChIKeyUYDNGMCIIFTZFP-UHFFFAOYSA-N
MW151.19 g/mol
LogP-0.38
Rot. Bonds2

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

N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propanamide (PubChem CID 57177798) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propanamide.

Molecular Properties

Compound NameN-(hydroxy-methylidene-oxo-λ6-sulfanyl)propanamide
PubChem CID57177798
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC NameN-(hydroxy-methylidene-oxo-λ6-sulfanyl)propanamide
SMILESC=S(=O)(O)NC(=O)CC
InChIInChI=1S/C4H9NO3S/c1-3-4(6)5-9(2,7)8/h2-3H2,1H3,(H2,5,6,7,8)
InChIKeyUYDNGMCIIFTZFP-UHFFFAOYSA-N
XLogP-0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)propanamide?
The IUPAC name of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propanamide (CID 57177798) is N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propanamide.
What is the SMILES notation for N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propanamide?
The canonical SMILES for N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propanamide is C=S(=O)(O)NC(=O)CC.
What is the InChIKey of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propanamide?
The InChIKey is UYDNGMCIIFTZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-3-4(6)5-9(2,7)8/h2-3H2,1H3,(H2,5,6,7,8).
What are the key properties of N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propanamide?
N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propanamide has a molecular weight of 151.19 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxy-methylidene-oxo-λ6-sulfanyl)propanamide is sourced from PubChem (CID 57177798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).