5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione

C6H9NO3S — CID 167083528

IUPAC5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)(S)C1OC(=O)NC1=O
InChIInChI=1S/C6H9NO3S/c1-6(2,11)3-4(8)7-5(9)10-3/h3,11H,1-2H3,(H,7,8,9)
InChIKeyYDXDULXETSGOFD-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.33
Rot. Bonds1

About 5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione

5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 167083528) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione
PubChem CID167083528
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)(S)C1OC(=O)NC1=O
InChIInChI=1S/C6H9NO3S/c1-6(2,11)3-4(8)7-5(9)10-3/h3,11H,1-2H3,(H,7,8,9)
InChIKeyYDXDULXETSGOFD-UHFFFAOYSA-N
XLogP0.33
TPSA55.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.33
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-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione (CID 167083528) is 5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione is CC(C)(S)C1OC(=O)NC1=O.
What is the InChIKey of 5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is YDXDULXETSGOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-6(2,11)3-4(8)7-5(9)10-3/h3,11H,1-2H3,(H,7,8,9).
What are the key properties of 5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione?
5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 175.21 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 167083528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).