4-naphthalen-1-ylsulfanylazetidin-2-one

C13H11NOS — CID 118526414

IUPAC4-naphthalen-1-ylsulfanylazetidin-2-one
SMILESO=C1CC(Sc2cccc3ccccc23)N1
InChIInChI=1S/C13H11NOS/c15-12-8-13(14-12)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8H2,(H,14,15)
InChIKeyBEMMBNRTCXRFTF-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.78
Rot. Bonds2

About 4-naphthalen-1-ylsulfanylazetidin-2-one

4-naphthalen-1-ylsulfanylazetidin-2-one (PubChem CID 118526414) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-naphthalen-1-ylsulfanylazetidin-2-one.

Molecular Properties

Compound Name4-naphthalen-1-ylsulfanylazetidin-2-one
PubChem CID118526414
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name4-naphthalen-1-ylsulfanylazetidin-2-one
SMILESO=C1CC(Sc2cccc3ccccc23)N1
InChIInChI=1S/C13H11NOS/c15-12-8-13(14-12)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8H2,(H,14,15)
InChIKeyBEMMBNRTCXRFTF-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-naphthalen-2-ylsulfanylacetamide
CID 2500692
Carbamothioic acid, ethyl-, S-2-naphthalenyl ester
CID 186332
4-Naphthalen-2-ylsulfanylazetidin-2-one
CID 86167
4-Naphthalen-2-ylsulfonylazetidin-2-one
CID 189602
2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 84603433
2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 112777525
4-Methyl-4-(naphthalen-2-ylsulfanylmethyl)azetidin-2-one
CID 326888
2-Naphthalen-1-ylsulfanylacetamide
CID 4059329
2-naphthalen-1-ylsulfanyl-N-[2-(pentylamino)ethyl]acetamide
CID 15287733
N-[2-(6,6-dimethylhepta-2,4-diynylamino)ethyl]-2-naphthalen-1-ylsulfanylacetamide
CID 15287741
5-(Naphthalen-1-ylsulfanylmethyl)pyrrolidin-2-one
CID 20628515
S-naphthalen-1-yl N-(2-methylpropyl)carbamothioate
CID 21397418

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylsulfanylazetidin-2-one?
The IUPAC name of 4-naphthalen-1-ylsulfanylazetidin-2-one (CID 118526414) is 4-naphthalen-1-ylsulfanylazetidin-2-one.
What is the SMILES notation for 4-naphthalen-1-ylsulfanylazetidin-2-one?
The canonical SMILES for 4-naphthalen-1-ylsulfanylazetidin-2-one is O=C1CC(Sc2cccc3ccccc23)N1.
What is the InChIKey of 4-naphthalen-1-ylsulfanylazetidin-2-one?
The InChIKey is BEMMBNRTCXRFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c15-12-8-13(14-12)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,13H,8H2,(H,14,15).
What are the key properties of 4-naphthalen-1-ylsulfanylazetidin-2-one?
4-naphthalen-1-ylsulfanylazetidin-2-one has a molecular weight of 229.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylsulfanylazetidin-2-one is sourced from PubChem (CID 118526414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).