(3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one

C8H9NO2S — CID 10749971

IUPAC(3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one
SMILESC[C@]1(O)C(=O)N[C@H]1c1cccs1
InChIInChI=1S/C8H9NO2S/c1-8(11)6(9-7(8)10)5-3-2-4-12-5/h2-4,6,11H,1H3,(H,9,10)/t6-,8+/m0/s1
InChIKeyFDQWAEZDEIKLFY-POYBYMJQSA-N
MW183.23 g/mol
LogP0.67
Rot. Bonds1

About (3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one

(3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one (PubChem CID 10749971) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is (3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one
PubChem CID10749971
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name(3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one
SMILESC[C@]1(O)C(=O)N[C@H]1c1cccs1
InChIInChI=1S/C8H9NO2S/c1-8(11)6(9-7(8)10)5-3-2-4-12-5/h2-4,6,11H,1H3,(H,9,10)/t6-,8+/m0/s1
InChIKeyFDQWAEZDEIKLFY-POYBYMJQSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one?
The IUPAC name of (3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one (CID 10749971) is (3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one is C[C@]1(O)C(=O)N[C@H]1c1cccs1.
What is the InChIKey of (3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one?
The InChIKey is FDQWAEZDEIKLFY-POYBYMJQSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-8(11)6(9-7(8)10)5-3-2-4-12-5/h2-4,6,11H,1H3,(H,9,10)/t6-,8+/m0/s1.
What are the key properties of (3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one?
(3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one has a molecular weight of 183.23 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-hydroxy-3-methyl-4-thiophen-2-ylazetidin-2-one is sourced from PubChem (CID 10749971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).