(3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one

C14H13NOS — CID 122372877

IUPAC(3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one
SMILESCN1C(=O)[C@H](c2cccs2)[C@H]1c1ccccc1
InChIInChI=1S/C14H13NOS/c1-15-13(10-6-3-2-4-7-10)12(14(15)16)11-8-5-9-17-11/h2-9,12-13H,1H3/t12-,13-/m1/s1
InChIKeyWYCKVMDNOBOIAX-CHWSQXEVSA-N
MW243.33 g/mol
LogP3.05
Rot. Bonds2

About (3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one

(3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one (PubChem CID 122372877) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is (3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one
PubChem CID122372877
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name(3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one
SMILESCN1C(=O)[C@H](c2cccs2)[C@H]1c1ccccc1
InChIInChI=1S/C14H13NOS/c1-15-13(10-6-3-2-4-7-10)12(14(15)16)11-8-5-9-17-11/h2-9,12-13H,1H3/t12-,13-/m1/s1
InChIKeyWYCKVMDNOBOIAX-CHWSQXEVSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one (CID 122372877) is (3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one is CN1C(=O)[C@H](c2cccs2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one?
The InChIKey is WYCKVMDNOBOIAX-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H13NOS/c1-15-13(10-6-3-2-4-7-10)12(14(15)16)11-8-5-9-17-11/h2-9,12-13H,1H3/t12-,13-/m1/s1.
What are the key properties of (3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one?
(3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one has a molecular weight of 243.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one is sourced from PubChem (CID 122372877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).