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

C4H5NO2S — CID 45086589

IUPAC(4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one
SMILESC[C@@H]1NC(=S)OC1=O
InChIInChI=1S/C4H5NO2S/c1-2-3(6)7-4(8)5-2/h2H,1H3,(H,5,8)/t2-/m0/s1
InChIKeyXICJEVJKZYSURA-REOHCLBHSA-N
MW131.16 g/mol
LogP-0.19
Rot. Bonds

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

(4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one (PubChem CID 45086589) has the molecular formula C4H5NO2S and a molecular weight of 131.16 g/mol. Its IUPAC name is (4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one
PubChem CID45086589
Molecular FormulaC4H5NO2S
Molecular Weight131.16 g/mol
Exact Mass131.00
IUPAC Name(4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one
SMILESC[C@@H]1NC(=S)OC1=O
InChIInChI=1S/C4H5NO2S/c1-2-3(6)7-4(8)5-2/h2H,1H3,(H,5,8)/t2-/m0/s1
InChIKeyXICJEVJKZYSURA-REOHCLBHSA-N
XLogP-0.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-methyl-2-sulfanylideneimidazolidin-4-one
CID 142805949
(2Z)-2-[(4R)-4-methyl-5-oxo-1,3-oxazolidin-2-ylidene]acetaldehyde
CID 98077108
5-hydroxy-3-methyl-3,4-dihydro-1,4-benzoxazin-2-one
CID 115094796
6-amino-3-methyl-3,4-dihydro-1,4-benzoxazin-2-one
CID 115096284
(3S,6S,9S,12S,15S,18S,21S)-3,6,9,12,15,18,21-heptamethyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane-2,5,8,11,14,17,20-heptone
CID 101423086
3,6-dimethyl-1,4-dioxane-2,5-dione
CID 7272
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 156591924
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 163835572
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
5-methyl-4-sulfanylidenepyrrolidin-2-one
CID 137473212
(3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione
CID 93499117
3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid
CID 115096140

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one?
The IUPAC name of (4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one (CID 45086589) is (4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one.
What is the SMILES notation for (4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one?
The canonical SMILES for (4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one is C[C@@H]1NC(=S)OC1=O.
What is the InChIKey of (4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one?
The InChIKey is XICJEVJKZYSURA-REOHCLBHSA-N. The full InChI is InChI=1S/C4H5NO2S/c1-2-3(6)7-4(8)5-2/h2H,1H3,(H,5,8)/t2-/m0/s1.
What are the key properties of (4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one?
(4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one has a molecular weight of 131.16 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-sulfanylidene-1,3-oxazolidin-5-one is sourced from PubChem (CID 45086589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).