(3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one

C6H11NO3S — CID 174178615

IUPAC(3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one
SMILESCC[C@H]1C(=O)N[C@@H]1S(C)(=O)=O
InChIInChI=1S/C6H11NO3S/c1-3-4-5(8)7-6(4)11(2,9)10/h4,6H,3H2,1-2H3,(H,7,8)/t4-,6+/m0/s1
InChIKeyOVXACFVETZVDBM-UJURSFKZSA-N
MW177.22 g/mol
LogP-0.49
Rot. Bonds2

About (3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one

(3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one (PubChem CID 174178615) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is (3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one
PubChem CID174178615
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name(3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one
SMILESCC[C@H]1C(=O)N[C@@H]1S(C)(=O)=O
InChIInChI=1S/C6H11NO3S/c1-3-4-5(8)7-6(4)11(2,9)10/h4,6H,3H2,1-2H3,(H,7,8)/t4-,6+/m0/s1
InChIKeyOVXACFVETZVDBM-UJURSFKZSA-N
XLogP-0.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one?
The IUPAC name of (3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one (CID 174178615) is (3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one is CC[C@H]1C(=O)N[C@@H]1S(C)(=O)=O.
What is the InChIKey of (3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one?
The InChIKey is OVXACFVETZVDBM-UJURSFKZSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-3-4-5(8)7-6(4)11(2,9)10/h4,6H,3H2,1-2H3,(H,7,8)/t4-,6+/m0/s1.
What are the key properties of (3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one?
(3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one has a molecular weight of 177.22 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one is sourced from PubChem (CID 174178615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).