3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one

C7H11NO4S — CID 43393676

IUPAC3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CSCCO)N1CCOC1=O
InChIInChI=1S/C7H11NO4S/c9-2-4-13-5-6(10)8-1-3-12-7(8)11/h9H,1-5H2
InChIKeyQMCVDUWFTJFBJS-UHFFFAOYSA-N
MW205.23 g/mol
LogP-0.31
Rot. Bonds4

About 3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one

3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 43393676) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID43393676
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one
SMILESO=C(CSCCO)N1CCOC1=O
InChIInChI=1S/C7H11NO4S/c9-2-4-13-5-6(10)8-1-3-12-7(8)11/h9H,1-5H2
InChIKeyQMCVDUWFTJFBJS-UHFFFAOYSA-N
XLogP-0.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylpropanoic acid
CID 107773641
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] N'-aminocarbamimidothioate
CID 77060998
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] carbamimidothioate
CID 65211971
4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbenzoic acid
CID 43352407
3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 107225668
2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]acetic acid
CID 43466082
3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538
3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
CID 11265081
1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid
CID 115918754
methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate
CID 66112828
3-[2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one
CID 66150041

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one (CID 43393676) is 3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one is O=C(CSCCO)N1CCOC1=O.
What is the InChIKey of 3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is QMCVDUWFTJFBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4S/c9-2-4-13-5-6(10)8-1-3-12-7(8)11/h9H,1-5H2.
What are the key properties of 3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one?
3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 205.23 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 43393676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).