(4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one

C10H11NO2S — CID 131075728

IUPAC(4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)OC1Sc1ccccc1
InChIInChI=1S/C10H11NO2S/c1-7-9(13-10(12)11-7)14-8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9?/m0/s1
InChIKeyZICRWGDNCOZXJO-JAVCKPHESA-N
MW209.27 g/mol
LogP2.23
Rot. Bonds2

About (4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one

(4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one (PubChem CID 131075728) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is (4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one
PubChem CID131075728
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name(4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)OC1Sc1ccccc1
InChIInChI=1S/C10H11NO2S/c1-7-9(13-10(12)11-7)14-8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9?/m0/s1
InChIKeyZICRWGDNCOZXJO-JAVCKPHESA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one
CID 14237750
(4S,5S)-4-methyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59786579
4-methyl-3-phenylsulfanyloxan-2-one
CID 14862270
3-methyl-5-phenylsulfanyloxolane-2,4-dione
CID 121217010
(3R,4R,5S)-5-bromo-3-methyl-4-phenylsulfanyloxolan-2-one
CID 15885264
(4S,5S)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70829759
3,4-dimethyl-2-phenylsulfanyl-2H-furan-5-one
CID 140674094
(5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 69224006
4-tert-butyl-3-phenylsulfanyloxetan-2-one
CID 12552473
(4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 13307960
(4R,6S)-6-methyl-4-phenyl-1,3-oxazinan-2-one
CID 131000813
2,4,5-trimethyl-6-phenylsulfanyloxan-3-ol
CID 58708353

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one (CID 131075728) is (4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one is C[C@@H]1NC(=O)OC1Sc1ccccc1.
What is the InChIKey of (4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one?
The InChIKey is ZICRWGDNCOZXJO-JAVCKPHESA-N. The full InChI is InChI=1S/C10H11NO2S/c1-7-9(13-10(12)11-7)14-8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9?/m0/s1.
What are the key properties of (4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one?
(4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one has a molecular weight of 209.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-5-phenylsulfanyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 131075728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).