(4R)-4-methyl-1-methylsulfonylazetidin-2-one

C5H9NO3S — CID 14061022

IUPAC(4R)-4-methyl-1-methylsulfonylazetidin-2-one
SMILESC[C@@H]1CC(=O)N1S(C)(=O)=O
InChIInChI=1S/C5H9NO3S/c1-4-3-5(7)6(4)10(2,8)9/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyXSBNMLNAULCNGQ-SCSAIBSYSA-N
MW163.20 g/mol
LogP-0.43
Rot. Bonds1

About (4R)-4-methyl-1-methylsulfonylazetidin-2-one

(4R)-4-methyl-1-methylsulfonylazetidin-2-one (PubChem CID 14061022) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is (4R)-4-methyl-1-methylsulfonylazetidin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-1-methylsulfonylazetidin-2-one
PubChem CID14061022
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC Name(4R)-4-methyl-1-methylsulfonylazetidin-2-one
SMILESC[C@@H]1CC(=O)N1S(C)(=O)=O
InChIInChI=1S/C5H9NO3S/c1-4-3-5(7)6(4)10(2,8)9/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyXSBNMLNAULCNGQ-SCSAIBSYSA-N
XLogP-0.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-methyl-4-oxoazetidine-1-sulfonate
CID 172744786
1-methylsulfonyl-4-(trichloromethyl)azetidin-2-one
CID 15062268
1-(2-hydroxyethyl)-4-methylazetidin-2-one
CID 11182619
7-tert-butyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole
CID 170383078
5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole
CID 84761078
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
2-methyl-4-oxoazetidine-1-carbaldehyde
CID 118219535
1-methylsulfonylpyrrolidine-2,5-dione
CID 544798
(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140
2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one
CID 105430948
6-methyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-one
CID 59268856
N-[2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]cyclopropanamine
CID 82262240

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1-methylsulfonylazetidin-2-one?
The IUPAC name of (4R)-4-methyl-1-methylsulfonylazetidin-2-one (CID 14061022) is (4R)-4-methyl-1-methylsulfonylazetidin-2-one.
What is the SMILES notation for (4R)-4-methyl-1-methylsulfonylazetidin-2-one?
The canonical SMILES for (4R)-4-methyl-1-methylsulfonylazetidin-2-one is C[C@@H]1CC(=O)N1S(C)(=O)=O.
What is the InChIKey of (4R)-4-methyl-1-methylsulfonylazetidin-2-one?
The InChIKey is XSBNMLNAULCNGQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9NO3S/c1-4-3-5(7)6(4)10(2,8)9/h4H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (4R)-4-methyl-1-methylsulfonylazetidin-2-one?
(4R)-4-methyl-1-methylsulfonylazetidin-2-one has a molecular weight of 163.20 g/mol, XLogP of -0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1-methylsulfonylazetidin-2-one is sourced from PubChem (CID 14061022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).