N-(oxiran-2-ylmethyl)-2-sulfanylacetamide

C5H9NO2S — CID 174615641

IUPACN-(oxiran-2-ylmethyl)-2-sulfanylacetamide
SMILESO=C(CS)NCC1CO1
InChIInChI=1S/C5H9NO2S/c7-5(3-9)6-1-4-2-8-4/h4,9H,1-3H2,(H,6,7)
InChIKeyOWICLFRFPUWJLZ-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.57
Rot. Bonds3

About N-(oxiran-2-ylmethyl)-2-sulfanylacetamide

N-(oxiran-2-ylmethyl)-2-sulfanylacetamide (PubChem CID 174615641) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)-2-sulfanylacetamide
PubChem CID174615641
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC NameN-(oxiran-2-ylmethyl)-2-sulfanylacetamide
SMILESO=C(CS)NCC1CO1
InChIInChI=1S/C5H9NO2S/c7-5(3-9)6-1-4-2-8-4/h4,9H,1-3H2,(H,6,7)
InChIKeyOWICLFRFPUWJLZ-UHFFFAOYSA-N
XLogP-0.57
TPSA41.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-(oxiran-2-ylmethyl)-2-sulfanylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N'-bis(oxiran-2-ylmethyl)butanediamide
CID 175178142
N-(oxiran-2-ylmethyl)-8-sulfanyloctanamide
CID 166028734
N-[[(2R)-oxiran-2-yl]methyl]butanamide
CID 97180860
5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid
CID 102548386
N-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-sulfanylacetamide
CID 141029507
N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
CID 106137809
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
CID 106137763
2-methyl-N-(oxiran-2-ylmethyl)propanamide
CID 102548474
2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide
CID 71755387
N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide
CID 97180814
N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
CID 97180854
2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide
CID 22942530

Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-ylmethyl)-2-sulfanylacetamide?
The IUPAC name of N-(oxiran-2-ylmethyl)-2-sulfanylacetamide (CID 174615641) is N-(oxiran-2-ylmethyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(oxiran-2-ylmethyl)-2-sulfanylacetamide?
The canonical SMILES for N-(oxiran-2-ylmethyl)-2-sulfanylacetamide is O=C(CS)NCC1CO1.
What is the InChIKey of N-(oxiran-2-ylmethyl)-2-sulfanylacetamide?
The InChIKey is OWICLFRFPUWJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c7-5(3-9)6-1-4-2-8-4/h4,9H,1-3H2,(H,6,7).
What are the key properties of N-(oxiran-2-ylmethyl)-2-sulfanylacetamide?
N-(oxiran-2-ylmethyl)-2-sulfanylacetamide has a molecular weight of 147.20 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethyl)-2-sulfanylacetamide is sourced from PubChem (CID 174615641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).