2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile

C6H10N2O4S — CID 130522979

IUPAC2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile
SMILESCC(C#N)S(=O)(=O)N1C[C@@H](O)CO1
InChIInChI=1S/C6H10N2O4S/c1-5(2-7)13(10,11)8-3-6(9)4-12-8/h5-6,9H,3-4H2,1H3/t5?,6-/m1/s1
InChIKeyAWPVSXLFXIUUCK-PRJDIBJQSA-N
MW206.22 g/mol
LogP-1.16
Rot. Bonds2

About 2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile

2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile (PubChem CID 130522979) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile.

Molecular Properties

Compound Name2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile
PubChem CID130522979
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile
SMILESCC(C#N)S(=O)(=O)N1C[C@@H](O)CO1
InChIInChI=1S/C6H10N2O4S/c1-5(2-7)13(10,11)8-3-6(9)4-12-8/h5-6,9H,3-4H2,1H3/t5?,6-/m1/s1
InChIKeyAWPVSXLFXIUUCK-PRJDIBJQSA-N
XLogP-1.16
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile?
The IUPAC name of 2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile (CID 130522979) is 2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile.
What is the SMILES notation for 2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile?
The canonical SMILES for 2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile is CC(C#N)S(=O)(=O)N1C[C@@H](O)CO1.
What is the InChIKey of 2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile?
The InChIKey is AWPVSXLFXIUUCK-PRJDIBJQSA-N. The full InChI is InChI=1S/C6H10N2O4S/c1-5(2-7)13(10,11)8-3-6(9)4-12-8/h5-6,9H,3-4H2,1H3/t5?,6-/m1/s1.
What are the key properties of 2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile?
2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile has a molecular weight of 206.22 g/mol, XLogP of -1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]sulfonyl]propanenitrile is sourced from PubChem (CID 130522979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).