2-methyl-3-propylsulfonyl-1,3-oxazolidine

C7H15NO3S — CID 110740219

IUPAC2-methyl-3-propylsulfonyl-1,3-oxazolidine
SMILESCCCS(=O)(=O)N1CCOC1C
InChIInChI=1S/C7H15NO3S/c1-3-6-12(9,10)8-4-5-11-7(8)2/h7H,3-6H2,1-2H3
InChIKeyZXNWKZGROBDVLJ-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.40
Rot. Bonds3

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

2-methyl-3-propylsulfonyl-1,3-oxazolidine (PubChem CID 110740219) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-methyl-3-propylsulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-methyl-3-propylsulfonyl-1,3-oxazolidine
PubChem CID110740219
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-methyl-3-propylsulfonyl-1,3-oxazolidine
SMILESCCCS(=O)(=O)N1CCOC1C
InChIInChI=1S/C7H15NO3S/c1-3-6-12(9,10)8-4-5-11-7(8)2/h7H,3-6H2,1-2H3
InChIKeyZXNWKZGROBDVLJ-UHFFFAOYSA-N
XLogP0.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propylsulfonyl-1,3-oxazolidine?
The IUPAC name of 2-methyl-3-propylsulfonyl-1,3-oxazolidine (CID 110740219) is 2-methyl-3-propylsulfonyl-1,3-oxazolidine.
What is the SMILES notation for 2-methyl-3-propylsulfonyl-1,3-oxazolidine?
The canonical SMILES for 2-methyl-3-propylsulfonyl-1,3-oxazolidine is CCCS(=O)(=O)N1CCOC1C.
What is the InChIKey of 2-methyl-3-propylsulfonyl-1,3-oxazolidine?
The InChIKey is ZXNWKZGROBDVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-3-6-12(9,10)8-4-5-11-7(8)2/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-propylsulfonyl-1,3-oxazolidine?
2-methyl-3-propylsulfonyl-1,3-oxazolidine has a molecular weight of 193.27 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propylsulfonyl-1,3-oxazolidine is sourced from PubChem (CID 110740219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).