5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one

C4H7NO3S — CID 143157988

IUPAC5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1S
InChIInChI=1S/C4H7NO3S/c6-2-3-1-5(9)4(7)8-3/h3,6,9H,1-2H2
InChIKeyJUCSFMWCEQVSDP-UHFFFAOYSA-N
MW149.17 g/mol
LogP-0.36
Rot. Bonds1

About 5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one

5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one (PubChem CID 143157988) has the molecular formula C4H7NO3S and a molecular weight of 149.17 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one
PubChem CID143157988
Molecular FormulaC4H7NO3S
Molecular Weight149.17 g/mol
Exact Mass149.01
IUPAC Name5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1S
InChIInChI=1S/C4H7NO3S/c6-2-3-1-5(9)4(7)8-3/h3,6,9H,1-2H2
InChIKeyJUCSFMWCEQVSDP-UHFFFAOYSA-N
XLogP-0.36
TPSA49.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one (CID 143157988) is 5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one is O=C1OC(CO)CN1S.
What is the InChIKey of 5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one?
The InChIKey is JUCSFMWCEQVSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3S/c6-2-3-1-5(9)4(7)8-3/h3,6,9H,1-2H2.
What are the key properties of 5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one has a molecular weight of 149.17 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-sulfanyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 143157988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).