3-ethylsulfonyl-1,3-oxazolidine

C5H11NO3S — CID 110740035

IUPAC3-ethylsulfonyl-1,3-oxazolidine
SMILESCCS(=O)(=O)N1CCOC1
InChIInChI=1S/C5H11NO3S/c1-2-10(7,8)6-3-4-9-5-6/h2-5H2,1H3
InChIKeyFVOUQSOSGAHKQU-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.37
Rot. Bonds2

About 3-ethylsulfonyl-1,3-oxazolidine

3-ethylsulfonyl-1,3-oxazolidine (PubChem CID 110740035) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 3-ethylsulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-ethylsulfonyl-1,3-oxazolidine
PubChem CID110740035
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name3-ethylsulfonyl-1,3-oxazolidine
SMILESCCS(=O)(=O)N1CCOC1
InChIInChI=1S/C5H11NO3S/c1-2-10(7,8)6-3-4-9-5-6/h2-5H2,1H3
InChIKeyFVOUQSOSGAHKQU-UHFFFAOYSA-N
XLogP-0.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-1,3-oxazolidine?
The IUPAC name of 3-ethylsulfonyl-1,3-oxazolidine (CID 110740035) is 3-ethylsulfonyl-1,3-oxazolidine.
What is the SMILES notation for 3-ethylsulfonyl-1,3-oxazolidine?
The canonical SMILES for 3-ethylsulfonyl-1,3-oxazolidine is CCS(=O)(=O)N1CCOC1.
What is the InChIKey of 3-ethylsulfonyl-1,3-oxazolidine?
The InChIKey is FVOUQSOSGAHKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-2-10(7,8)6-3-4-9-5-6/h2-5H2,1H3.
What are the key properties of 3-ethylsulfonyl-1,3-oxazolidine?
3-ethylsulfonyl-1,3-oxazolidine has a molecular weight of 165.21 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-1,3-oxazolidine is sourced from PubChem (CID 110740035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).