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

C11H13NOS — CID 13281896

IUPAC(3S,4R)-3-ethyl-4-phenylsulfanylazetidin-2-one
SMILESCC[C@H]1C(=O)N[C@@H]1Sc1ccccc1
InChIInChI=1S/C11H13NOS/c1-2-9-10(13)12-11(9)14-8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3,(H,12,13)/t9-,11+/m0/s1
InChIKeyHCSWJOWQOQLXOP-GXSJLCMTSA-N
MW207.30 g/mol
LogP2.26
Rot. Bonds3

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

(3S,4R)-3-ethyl-4-phenylsulfanylazetidin-2-one (PubChem CID 13281896) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (3S,4R)-3-ethyl-4-phenylsulfanylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-ethyl-4-phenylsulfanylazetidin-2-one
PubChem CID13281896
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(3S,4R)-3-ethyl-4-phenylsulfanylazetidin-2-one
SMILESCC[C@H]1C(=O)N[C@@H]1Sc1ccccc1
InChIInChI=1S/C11H13NOS/c1-2-9-10(13)12-11(9)14-8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3,(H,12,13)/t9-,11+/m0/s1
InChIKeyHCSWJOWQOQLXOP-GXSJLCMTSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-ethyl-4-phenylsulfanylazetidin-2-one?
The IUPAC name of (3S,4R)-3-ethyl-4-phenylsulfanylazetidin-2-one (CID 13281896) is (3S,4R)-3-ethyl-4-phenylsulfanylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-ethyl-4-phenylsulfanylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-ethyl-4-phenylsulfanylazetidin-2-one is CC[C@H]1C(=O)N[C@@H]1Sc1ccccc1.
What is the InChIKey of (3S,4R)-3-ethyl-4-phenylsulfanylazetidin-2-one?
The InChIKey is HCSWJOWQOQLXOP-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H13NOS/c1-2-9-10(13)12-11(9)14-8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3,(H,12,13)/t9-,11+/m0/s1.
What are the key properties of (3S,4R)-3-ethyl-4-phenylsulfanylazetidin-2-one?
(3S,4R)-3-ethyl-4-phenylsulfanylazetidin-2-one has a molecular weight of 207.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-ethyl-4-phenylsulfanylazetidin-2-one is sourced from PubChem (CID 13281896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).