[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone

C18H19NOS — CID 24725303

IUPAC[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)c1ccccc1CN1CCC1
InChIInChI=1S/C18H19NOS/c1-21-17-10-5-4-9-16(17)18(20)15-8-3-2-7-14(15)13-19-11-6-12-19/h2-5,7-10H,6,11-13H2,1H3
InChIKeyNBBXAXTUDMEHIL-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.85
Rot. Bonds5

About [2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone

[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone (PubChem CID 24725303) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is [2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
PubChem CID24725303
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)c1ccccc1CN1CCC1
InChIInChI=1S/C18H19NOS/c1-21-17-10-5-4-9-16(17)18(20)15-8-3-2-7-14(15)13-19-11-6-12-19/h2-5,7-10H,6,11-13H2,1H3
InChIKeyNBBXAXTUDMEHIL-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
CID 24725530
1-[(2-methylsulfanylphenyl)methyl]azetidine
CID 131107256
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
(2-methylsulfanylphenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724285
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
CID 24725316
2-[2-(azetidin-1-ylmethyl)benzoyl]benzonitrile
CID 24725297
[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308
[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
CID 24725309
[2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone
CID 24725330
(2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725405
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone (CID 24725303) is [2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)c1ccccc1CN1CCC1.
What is the InChIKey of [2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is NBBXAXTUDMEHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-21-17-10-5-4-9-16(17)18(20)15-8-3-2-7-14(15)13-19-11-6-12-19/h2-5,7-10H,6,11-13H2,1H3.
What are the key properties of [2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone?
[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 297.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 24725303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).