4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one

C5H9NO2S — CID 86665538

IUPAC4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one
SMILESCC1(CS)COC(=O)N1
InChIInChI=1S/C5H9NO2S/c1-5(3-9)2-8-4(7)6-5/h9H,2-3H2,1H3,(H,6,7)
InChIKeyWHUYDJLFUJJECA-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.41
Rot. Bonds1

About 4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one

4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one (PubChem CID 86665538) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one
PubChem CID86665538
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one
SMILESCC1(CS)COC(=O)N1
InChIInChI=1S/C5H9NO2S/c1-5(3-9)2-8-4(7)6-5/h9H,2-3H2,1H3,(H,6,7)
InChIKeyWHUYDJLFUJJECA-UHFFFAOYSA-N
XLogP0.41
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one 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 4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one (CID 86665538) is 4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one is CC1(CS)COC(=O)N1.
What is the InChIKey of 4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is WHUYDJLFUJJECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-5(3-9)2-8-4(7)6-5/h9H,2-3H2,1H3,(H,6,7).
What are the key properties of 4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one?
4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 147.20 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 86665538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).