2-phosphanyloxy-N-(2-sulfanylethyl)acetamide

C4H10NO2PS — CID 59364582

IUPAC2-phosphanyloxy-N-(2-sulfanylethyl)acetamide
SMILESO=C(COP)NCCS
InChIInChI=1S/C4H10NO2PS/c6-4(3-7-8)5-1-2-9/h9H,1-3,8H2,(H,5,6)
InChIKeyVSTQIKXBDYLXDG-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.16
Rot. Bonds4

About 2-phosphanyloxy-N-(2-sulfanylethyl)acetamide

2-phosphanyloxy-N-(2-sulfanylethyl)acetamide (PubChem CID 59364582) has the molecular formula C4H10NO2PS and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-phosphanyloxy-N-(2-sulfanylethyl)acetamide.

Molecular Properties

Compound Name2-phosphanyloxy-N-(2-sulfanylethyl)acetamide
PubChem CID59364582
Molecular FormulaC4H10NO2PS
Molecular Weight167.17 g/mol
Exact Mass167.02
IUPAC Name2-phosphanyloxy-N-(2-sulfanylethyl)acetamide
SMILESO=C(COP)NCCS
InChIInChI=1S/C4H10NO2PS/c6-4(3-7-8)5-1-2-9/h9H,1-3,8H2,(H,5,6)
InChIKeyVSTQIKXBDYLXDG-UHFFFAOYSA-N
XLogP-0.16
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-phosphanyloxy-N-(2-sulfanylethyl)acetamide 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-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide
CID 19607288
N'-(2-sulfanylethyl)butanediamide
CID 15293890
1-N,2-N,3-N-tris(2-sulfanylethyl)propane-1,2,3-tricarboxamide
CID 10132786
2-[(2-methylpropan-2-yl)oxy]-N-(3-sulfanylpropyl)acetamide
CID 155051712
2-[bis[2-[carboxymethyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]ethyl]amino]acetic acid
CID 5289611
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]ethyl]amino]acetic acid
CID 146388911
imino-[2-oxo-2-(2-sulfanylethylamino)ethyl]iminoazanium
CID 46943412
CID 155068879
CID 155068879
N-(2-sulfanylethyl)octanamide
CID 521749
3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide
CID 89042102
4-sulfanyl-N-[2-(4-sulfanylbutanoylamino)ethyl]butanamide
CID 11817935
2-methyl-N-(2-sulfanylethyl)propanamide
CID 23374889

Frequently Asked Questions

What is the IUPAC name of 2-phosphanyloxy-N-(2-sulfanylethyl)acetamide?
The IUPAC name of 2-phosphanyloxy-N-(2-sulfanylethyl)acetamide (CID 59364582) is 2-phosphanyloxy-N-(2-sulfanylethyl)acetamide.
What is the SMILES notation for 2-phosphanyloxy-N-(2-sulfanylethyl)acetamide?
The canonical SMILES for 2-phosphanyloxy-N-(2-sulfanylethyl)acetamide is O=C(COP)NCCS.
What is the InChIKey of 2-phosphanyloxy-N-(2-sulfanylethyl)acetamide?
The InChIKey is VSTQIKXBDYLXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO2PS/c6-4(3-7-8)5-1-2-9/h9H,1-3,8H2,(H,5,6).
What are the key properties of 2-phosphanyloxy-N-(2-sulfanylethyl)acetamide?
2-phosphanyloxy-N-(2-sulfanylethyl)acetamide has a molecular weight of 167.17 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphanyloxy-N-(2-sulfanylethyl)acetamide is sourced from PubChem (CID 59364582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).