3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one

C12H16N2O3S — CID 138051102

IUPAC3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one
SMILESCS(=O)(=O)CCNC1CN(c2ccccc2)C1=O
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)8-7-13-11-9-14(12(11)15)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKeyDIMVMDKPIBAAQG-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.04
Rot. Bonds5

About 3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one

3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one (PubChem CID 138051102) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one.

Molecular Properties

Compound Name3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one
PubChem CID138051102
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one
SMILESCS(=O)(=O)CCNC1CN(c2ccccc2)C1=O
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)8-7-13-11-9-14(12(11)15)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKeyDIMVMDKPIBAAQG-UHFFFAOYSA-N
XLogP0.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one?
The IUPAC name of 3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one (CID 138051102) is 3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one.
What is the SMILES notation for 3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one?
The canonical SMILES for 3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one is CS(=O)(=O)CCNC1CN(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one?
The InChIKey is DIMVMDKPIBAAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-18(16,17)8-7-13-11-9-14(12(11)15)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3.
What are the key properties of 3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one?
3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one has a molecular weight of 268.34 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethylamino)-1-phenylazetidin-2-one is sourced from PubChem (CID 138051102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).