2-(hydroxymethylsulfanyl)acetamide

C3H7NO2S — CID 67703147

IUPAC2-(hydroxymethylsulfanyl)acetamide
SMILESNC(=O)CSCO
InChIInChI=1S/C3H7NO2S/c4-3(6)1-7-2-5/h5H,1-2H2,(H2,4,6)
InChIKeyWXLQAQFXCDYRCJ-UHFFFAOYSA-N
MW121.16 g/mol
LogP-0.85
Rot. Bonds3

About 2-(hydroxymethylsulfanyl)acetamide

2-(hydroxymethylsulfanyl)acetamide (PubChem CID 67703147) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is 2-(hydroxymethylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(hydroxymethylsulfanyl)acetamide
PubChem CID67703147
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Name2-(hydroxymethylsulfanyl)acetamide
SMILESNC(=O)CSCO
InChIInChI=1S/C3H7NO2S/c4-3(6)1-7-2-5/h5H,1-2H2,(H2,4,6)
InChIKeyWXLQAQFXCDYRCJ-UHFFFAOYSA-N
XLogP-0.85
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(hydroxymethylsulfanyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethylsulfanyl)acetamide?
The IUPAC name of 2-(hydroxymethylsulfanyl)acetamide (CID 67703147) is 2-(hydroxymethylsulfanyl)acetamide.
What is the SMILES notation for 2-(hydroxymethylsulfanyl)acetamide?
The canonical SMILES for 2-(hydroxymethylsulfanyl)acetamide is NC(=O)CSCO.
What is the InChIKey of 2-(hydroxymethylsulfanyl)acetamide?
The InChIKey is WXLQAQFXCDYRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S/c4-3(6)1-7-2-5/h5H,1-2H2,(H2,4,6).
What are the key properties of 2-(hydroxymethylsulfanyl)acetamide?
2-(hydroxymethylsulfanyl)acetamide has a molecular weight of 121.16 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethylsulfanyl)acetamide is sourced from PubChem (CID 67703147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).