1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine

C19H23NO2S — CID 156538452

IUPAC1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine
SMILESCC1C(CS(C)(=O)=O)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-15-18(14-23(2,21)22)13-20(15)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3
InChIKeyAFLJXSAMCOBMOV-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.14
Rot. Bonds5

About 1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine

1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine (PubChem CID 156538452) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine
PubChem CID156538452
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine
SMILESCC1C(CS(C)(=O)=O)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-15-18(14-23(2,21)22)13-20(15)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3
InChIKeyAFLJXSAMCOBMOV-UHFFFAOYSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine?
The IUPAC name of 1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine (CID 156538452) is 1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine.
What is the SMILES notation for 1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine?
The canonical SMILES for 1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine is CC1C(CS(C)(=O)=O)CN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine?
The InChIKey is AFLJXSAMCOBMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15-18(14-23(2,21)22)13-20(15)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3.
What are the key properties of 1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine?
1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine has a molecular weight of 329.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-2-methyl-3-(methylsulfonylmethyl)azetidine is sourced from PubChem (CID 156538452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).