(5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane

C5H11NO3S — CID 157467427

IUPAC(5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane
SMILESCOC[C@@H]1CNC(=O)O1.S
InChIInChI=1S/C5H9NO3.H2S/c1-8-3-4-2-6-5(7)9-4;/h4H,2-3H2,1H3,(H,6,7);1H2/t4-;/m0./s1
InChIKeyBUQJOVQPJUZFKW-WCCKRBBISA-N
MW165.21 g/mol
LogP-0.15
Rot. Bonds2

About (5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane

(5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane (PubChem CID 157467427) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is (5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane.

Molecular Properties

Compound Name(5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane
PubChem CID157467427
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name(5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane
SMILESCOC[C@@H]1CNC(=O)O1.S
InChIInChI=1S/C5H9NO3.H2S/c1-8-3-4-2-6-5(7)9-4;/h4H,2-3H2,1H3,(H,6,7);1H2/t4-;/m0./s1
InChIKeyBUQJOVQPJUZFKW-WCCKRBBISA-N
XLogP-0.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane?
The IUPAC name of (5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane (CID 157467427) is (5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane.
What is the SMILES notation for (5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane?
The canonical SMILES for (5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane is COC[C@@H]1CNC(=O)O1.S.
What is the InChIKey of (5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane?
The InChIKey is BUQJOVQPJUZFKW-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO3.H2S/c1-8-3-4-2-6-5(7)9-4;/h4H,2-3H2,1H3,(H,6,7);1H2/t4-;/m0./s1.
What are the key properties of (5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane?
(5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane has a molecular weight of 165.21 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane is sourced from PubChem (CID 157467427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).