3-methylsulfonyl-1,3-oxazolidine

C4H9NO3S — CID 56605842

IUPAC3-methylsulfonyl-1,3-oxazolidine
SMILESCS(=O)(=O)N1CCOC1
InChIInChI=1S/C4H9NO3S/c1-9(6,7)5-2-3-8-4-5/h2-4H2,1H3
InChIKeyAYFYRWNNMAGLST-UHFFFAOYSA-N
MW151.19 g/mol
LogP-0.76
Rot. Bonds1

About 3-methylsulfonyl-1,3-oxazolidine

3-methylsulfonyl-1,3-oxazolidine (PubChem CID 56605842) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 3-methylsulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-methylsulfonyl-1,3-oxazolidine
PubChem CID56605842
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name3-methylsulfonyl-1,3-oxazolidine
SMILESCS(=O)(=O)N1CCOC1
InChIInChI=1S/C4H9NO3S/c1-9(6,7)5-2-3-8-4-5/h2-4H2,1H3
InChIKeyAYFYRWNNMAGLST-UHFFFAOYSA-N
XLogP-0.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1,3-oxazolidine?
The IUPAC name of 3-methylsulfonyl-1,3-oxazolidine (CID 56605842) is 3-methylsulfonyl-1,3-oxazolidine.
What is the SMILES notation for 3-methylsulfonyl-1,3-oxazolidine?
The canonical SMILES for 3-methylsulfonyl-1,3-oxazolidine is CS(=O)(=O)N1CCOC1.
What is the InChIKey of 3-methylsulfonyl-1,3-oxazolidine?
The InChIKey is AYFYRWNNMAGLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-9(6,7)5-2-3-8-4-5/h2-4H2,1H3.
What are the key properties of 3-methylsulfonyl-1,3-oxazolidine?
3-methylsulfonyl-1,3-oxazolidine has a molecular weight of 151.19 g/mol, XLogP of -0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1,3-oxazolidine is sourced from PubChem (CID 56605842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).