3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione

C11H18N2O5S — CID 122275104

IUPAC3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione
SMILESCCCCS(=O)(=O)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C11H18N2O5S/c1-2-3-4-19(16,17)12-5-9(6-12)7-13-10(14)8-18-11(13)15/h9H,2-8H2,1H3
InChIKeyUAKIQIFBWUUCLI-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.03
Rot. Bonds6

About 3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione

3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 122275104) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione
PubChem CID122275104
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione
SMILESCCCCS(=O)(=O)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C11H18N2O5S/c1-2-3-4-19(16,17)12-5-9(6-12)7-13-10(14)8-18-11(13)15/h9H,2-8H2,1H3
InChIKeyUAKIQIFBWUUCLI-UHFFFAOYSA-N
XLogP0.03
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione (CID 122275104) is 3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione is CCCCS(=O)(=O)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of 3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is UAKIQIFBWUUCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-2-3-4-19(16,17)12-5-9(6-12)7-13-10(14)8-18-11(13)15/h9H,2-8H2,1H3.
What are the key properties of 3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione?
3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 290.34 g/mol, XLogP of 0.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butylsulfonylazetidin-3-yl)methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 122275104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).