1-[methylsulfonyl(phenyl)methyl]azetidine

C11H15NO2S — CID 172757000

IUPAC1-[methylsulfonyl(phenyl)methyl]azetidine
SMILESCS(=O)(=O)C(c1ccccc1)N1CCC1
InChIInChI=1S/C11H15NO2S/c1-15(13,14)11(12-8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyLDUAOCBPSMWNFP-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.44
Rot. Bonds3

About 1-[methylsulfonyl(phenyl)methyl]azetidine

1-[methylsulfonyl(phenyl)methyl]azetidine (PubChem CID 172757000) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[methylsulfonyl(phenyl)methyl]azetidine.

Molecular Properties

Compound Name1-[methylsulfonyl(phenyl)methyl]azetidine
PubChem CID172757000
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-[methylsulfonyl(phenyl)methyl]azetidine
SMILESCS(=O)(=O)C(c1ccccc1)N1CCC1
InChIInChI=1S/C11H15NO2S/c1-15(13,14)11(12-8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyLDUAOCBPSMWNFP-UHFFFAOYSA-N
XLogP1.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzhydryl-3-methylsulfonylpiperidine
CID 125141980
(2S)-2-phenyl-1-pyrrolidin-1-ylpropan-1-amine
CID 67673166
N-[2-(azepan-1-yl)-2-phenylethyl]-1-methylsulfonylpiperidin-4-amine
CID 56708957
1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine
CID 59470641
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine
CID 10657531
methyl-diphenyl-[phenyl(pyrrolidin-1-yl)methyl]silane
CID 10498569
1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110357434
1-[(2R)-2-nitro-1-phenylpropyl]piperidine
CID 134884394
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol
CID 11441159

Frequently Asked Questions

What is the IUPAC name of 1-[methylsulfonyl(phenyl)methyl]azetidine?
The IUPAC name of 1-[methylsulfonyl(phenyl)methyl]azetidine (CID 172757000) is 1-[methylsulfonyl(phenyl)methyl]azetidine.
What is the SMILES notation for 1-[methylsulfonyl(phenyl)methyl]azetidine?
The canonical SMILES for 1-[methylsulfonyl(phenyl)methyl]azetidine is CS(=O)(=O)C(c1ccccc1)N1CCC1.
What is the InChIKey of 1-[methylsulfonyl(phenyl)methyl]azetidine?
The InChIKey is LDUAOCBPSMWNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-15(13,14)11(12-8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3.
What are the key properties of 1-[methylsulfonyl(phenyl)methyl]azetidine?
1-[methylsulfonyl(phenyl)methyl]azetidine has a molecular weight of 225.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methylsulfonyl(phenyl)methyl]azetidine is sourced from PubChem (CID 172757000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).