3-butylsulfonyl-1,3-oxazolidine

C7H15NO3S — CID 110740037

IUPAC3-butylsulfonyl-1,3-oxazolidine
SMILESCCCCS(=O)(=O)N1CCOC1
InChIInChI=1S/C7H15NO3S/c1-2-3-6-12(9,10)8-4-5-11-7-8/h2-7H2,1H3
InChIKeyJLMKFHWYNQXCTF-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.41
Rot. Bonds4

About 3-butylsulfonyl-1,3-oxazolidine

3-butylsulfonyl-1,3-oxazolidine (PubChem CID 110740037) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-butylsulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-butylsulfonyl-1,3-oxazolidine
PubChem CID110740037
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name3-butylsulfonyl-1,3-oxazolidine
SMILESCCCCS(=O)(=O)N1CCOC1
InChIInChI=1S/C7H15NO3S/c1-2-3-6-12(9,10)8-4-5-11-7-8/h2-7H2,1H3
InChIKeyJLMKFHWYNQXCTF-UHFFFAOYSA-N
XLogP0.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butylsulfonyl-1,3-oxazolidine?
The IUPAC name of 3-butylsulfonyl-1,3-oxazolidine (CID 110740037) is 3-butylsulfonyl-1,3-oxazolidine.
What is the SMILES notation for 3-butylsulfonyl-1,3-oxazolidine?
The canonical SMILES for 3-butylsulfonyl-1,3-oxazolidine is CCCCS(=O)(=O)N1CCOC1.
What is the InChIKey of 3-butylsulfonyl-1,3-oxazolidine?
The InChIKey is JLMKFHWYNQXCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-3-6-12(9,10)8-4-5-11-7-8/h2-7H2,1H3.
What are the key properties of 3-butylsulfonyl-1,3-oxazolidine?
3-butylsulfonyl-1,3-oxazolidine has a molecular weight of 193.27 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfonyl-1,3-oxazolidine is sourced from PubChem (CID 110740037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).