3-(2-phenylethylsulfonylmethyl)azetidine

C12H17NO2S — CID 81198425

IUPAC3-(2-phenylethylsulfonylmethyl)azetidine
SMILESO=S(=O)(CCc1ccccc1)CC1CNC1
InChIInChI=1S/C12H17NO2S/c14-16(15,10-12-8-13-9-12)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyZNAIBPRRUUAKKV-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.86
Rot. Bonds5

About 3-(2-phenylethylsulfonylmethyl)azetidine

3-(2-phenylethylsulfonylmethyl)azetidine (PubChem CID 81198425) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(2-phenylethylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name3-(2-phenylethylsulfonylmethyl)azetidine
PubChem CID81198425
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-(2-phenylethylsulfonylmethyl)azetidine
SMILESO=S(=O)(CCc1ccccc1)CC1CNC1
InChIInChI=1S/C12H17NO2S/c14-16(15,10-12-8-13-9-12)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyZNAIBPRRUUAKKV-UHFFFAOYSA-N
XLogP0.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-phenoxypropylsulfonylmethyl)azetidine
CID 81198246
1-(azetidin-3-yl)-N-phenylmethanesulfonamide
CID 115035680
3-[(2-methylphenyl)methylsulfonylmethyl]azetidine
CID 81197445
4-(azetidin-3-ylmethylsulfonylmethyl)phenol
CID 81198576
3-benzylazetidine;hydrochloride
CID 54592835
3-[(3-nitrophenyl)methylsulfonylmethyl]azetidine
CID 81198561
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-phenylethanesulfonamide
CID 80691949
3-benzylsulfonylazetidine
CID 71777930
3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine
CID 81197467
4-(4-phenylbutylsulfonyl)butylbenzene
CID 70468291
5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60971520
4-[2-[3-[2-(cyclopropylmethylsulfonyl)ethyl]phenyl]-3-phenylpropyl]morpholine;hydrochloride
CID 161358433

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethylsulfonylmethyl)azetidine?
The IUPAC name of 3-(2-phenylethylsulfonylmethyl)azetidine (CID 81198425) is 3-(2-phenylethylsulfonylmethyl)azetidine.
What is the SMILES notation for 3-(2-phenylethylsulfonylmethyl)azetidine?
The canonical SMILES for 3-(2-phenylethylsulfonylmethyl)azetidine is O=S(=O)(CCc1ccccc1)CC1CNC1.
What is the InChIKey of 3-(2-phenylethylsulfonylmethyl)azetidine?
The InChIKey is ZNAIBPRRUUAKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-16(15,10-12-8-13-9-12)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2.
What are the key properties of 3-(2-phenylethylsulfonylmethyl)azetidine?
3-(2-phenylethylsulfonylmethyl)azetidine has a molecular weight of 239.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylsulfonylmethyl)azetidine is sourced from PubChem (CID 81198425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).