3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one

C6H11NO2S — CID 123424307

IUPAC3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one
SMILESCSCCN1CCOC1=O
InChIInChI=1S/C6H11NO2S/c1-10-5-3-7-2-4-9-6(7)8/h2-5H2,1H3
InChIKeyIKGXRXXWVCLOOT-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.80
Rot. Bonds3

About 3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one

3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one (PubChem CID 123424307) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one
PubChem CID123424307
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one
SMILESCSCCN1CCOC1=O
InChIInChI=1S/C6H11NO2S/c1-10-5-3-7-2-4-9-6(7)8/h2-5H2,1H3
InChIKeyIKGXRXXWVCLOOT-UHFFFAOYSA-N
XLogP0.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylsulfanylethyl)-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 3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one (CID 123424307) is 3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one is CSCCN1CCOC1=O.
What is the InChIKey of 3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one?
The InChIKey is IKGXRXXWVCLOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-10-5-3-7-2-4-9-6(7)8/h2-5H2,1H3.
What are the key properties of 3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one?
3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one has a molecular weight of 161.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 123424307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).