1-benzyl-4-methylsulfanylazetidin-2-one

C11H13NOS — CID 18782009

IUPAC1-benzyl-4-methylsulfanylazetidin-2-one
SMILESCSC1CC(=O)N1Cc1ccccc1
InChIInChI=1S/C11H13NOS/c1-14-11-7-10(13)12(11)8-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyOOHVAOMAYFFQCS-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.11
Rot. Bonds3

About 1-benzyl-4-methylsulfanylazetidin-2-one

1-benzyl-4-methylsulfanylazetidin-2-one (PubChem CID 18782009) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-benzyl-4-methylsulfanylazetidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-methylsulfanylazetidin-2-one
PubChem CID18782009
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name1-benzyl-4-methylsulfanylazetidin-2-one
SMILESCSC1CC(=O)N1Cc1ccccc1
InChIInChI=1S/C11H13NOS/c1-14-11-7-10(13)12(11)8-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyOOHVAOMAYFFQCS-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Phenylmethyl)-2-thioxo-4-thiazolidinone
CID 97673
3-Benzyl-2-phenylthiazolidin-4-one
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Rhodanine, 3-(alpha-methylbenzyl)-
CID 99773
1-Benzyl-3,3-dimethylazetidine-2,4-dione
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3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione
CID 3817475
2-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623
3-(Acetylsulfanyl)-N-benzyl-2-methylpropanimidic acid
CID 2828749
3-Benzyl-1,3-thiazolidine-2,4-dione
CID 2788476
3-[3-(Dimethylamino)propyl]-2-(4-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 5341962
2,2-Dimethyl-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 155524881
1-benzyl-3,4-dimethyl-5-(propylsulfanyl)-1,5-dihydro-2H-pyrrol-2-one
CID 23724175

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylsulfanylazetidin-2-one?
The IUPAC name of 1-benzyl-4-methylsulfanylazetidin-2-one (CID 18782009) is 1-benzyl-4-methylsulfanylazetidin-2-one.
What is the SMILES notation for 1-benzyl-4-methylsulfanylazetidin-2-one?
The canonical SMILES for 1-benzyl-4-methylsulfanylazetidin-2-one is CSC1CC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-methylsulfanylazetidin-2-one?
The InChIKey is OOHVAOMAYFFQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-14-11-7-10(13)12(11)8-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of 1-benzyl-4-methylsulfanylazetidin-2-one?
1-benzyl-4-methylsulfanylazetidin-2-one has a molecular weight of 207.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylsulfanylazetidin-2-one is sourced from PubChem (CID 18782009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).