4-methylsulfanyl-1,3-oxazolidin-2-one

C4H7NO2S — CID 123293651

IUPAC4-methylsulfanyl-1,3-oxazolidin-2-one
SMILESCSC1COC(=O)N1
InChIInChI=1S/C4H7NO2S/c1-8-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)
InChIKeyRSSVMBXBEURSEP-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.42
Rot. Bonds1

About 4-methylsulfanyl-1,3-oxazolidin-2-one

4-methylsulfanyl-1,3-oxazolidin-2-one (PubChem CID 123293651) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is 4-methylsulfanyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methylsulfanyl-1,3-oxazolidin-2-one
PubChem CID123293651
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name4-methylsulfanyl-1,3-oxazolidin-2-one
SMILESCSC1COC(=O)N1
InChIInChI=1S/C4H7NO2S/c1-8-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)
InChIKeyRSSVMBXBEURSEP-UHFFFAOYSA-N
XLogP0.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methylsulfanyl-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

Related Compounds

4-methyl-1,3-oxazolidin-2-one;molecular hydrogen
CID 143507654
(4S)-4-ethyl-1,3-oxazolidin-2-one
CID 7832546
(4R)-4-ethyl-1,3-oxazolidin-2-one
CID 641503
(4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one
CID 55288362
(4S)-4-acetyl-1,3-oxazolidin-2-one
CID 66831189
ethane;4-propan-2-yl-1,3-oxazolidin-2-one
CID 143133628
ethane;4-ethyl-1,3-oxazolidin-2-one
CID 143842145
4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene
CID 143059431
4-prop-1-ynyl-1,3-oxazolidin-2-one
CID 130016019
4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 139507497
4-ethyl-5-methyl-1,3-oxazinan-2-one
CID 89458123
(4R)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 2734862

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-methylsulfanyl-1,3-oxazolidin-2-one (CID 123293651) is 4-methylsulfanyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methylsulfanyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methylsulfanyl-1,3-oxazolidin-2-one is CSC1COC(=O)N1.
What is the InChIKey of 4-methylsulfanyl-1,3-oxazolidin-2-one?
The InChIKey is RSSVMBXBEURSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c1-8-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6).
What are the key properties of 4-methylsulfanyl-1,3-oxazolidin-2-one?
4-methylsulfanyl-1,3-oxazolidin-2-one has a molecular weight of 133.17 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123293651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).