2-methyl-3-methylsulfonyl-1,3-oxazolidine

C5H11NO3S — CID 110740217

IUPAC2-methyl-3-methylsulfonyl-1,3-oxazolidine
SMILESCC1OCCN1S(C)(=O)=O
InChIInChI=1S/C5H11NO3S/c1-5-6(3-4-9-5)10(2,7)8/h5H,3-4H2,1-2H3
InChIKeyKOLZVIYWFYYNKQ-UHFFFAOYSA-N
MW165.21 g/mol
LogP-0.38
Rot. Bonds1

About 2-methyl-3-methylsulfonyl-1,3-oxazolidine

2-methyl-3-methylsulfonyl-1,3-oxazolidine (PubChem CID 110740217) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is 2-methyl-3-methylsulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-methyl-3-methylsulfonyl-1,3-oxazolidine
PubChem CID110740217
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name2-methyl-3-methylsulfonyl-1,3-oxazolidine
SMILESCC1OCCN1S(C)(=O)=O
InChIInChI=1S/C5H11NO3S/c1-5-6(3-4-9-5)10(2,7)8/h5H,3-4H2,1-2H3
InChIKeyKOLZVIYWFYYNKQ-UHFFFAOYSA-N
XLogP-0.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfonyl-1,3-oxazolidine?
The IUPAC name of 2-methyl-3-methylsulfonyl-1,3-oxazolidine (CID 110740217) is 2-methyl-3-methylsulfonyl-1,3-oxazolidine.
What is the SMILES notation for 2-methyl-3-methylsulfonyl-1,3-oxazolidine?
The canonical SMILES for 2-methyl-3-methylsulfonyl-1,3-oxazolidine is CC1OCCN1S(C)(=O)=O.
What is the InChIKey of 2-methyl-3-methylsulfonyl-1,3-oxazolidine?
The InChIKey is KOLZVIYWFYYNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-5-6(3-4-9-5)10(2,7)8/h5H,3-4H2,1-2H3.
What are the key properties of 2-methyl-3-methylsulfonyl-1,3-oxazolidine?
2-methyl-3-methylsulfonyl-1,3-oxazolidine has a molecular weight of 165.21 g/mol, XLogP of -0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfonyl-1,3-oxazolidine is sourced from PubChem (CID 110740217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).