3-[2-(4-methylphenyl)ethylsulfonyl]azetidine

C12H17NO2S — CID 115070382

IUPAC3-[2-(4-methylphenyl)ethylsulfonyl]azetidine
SMILESCc1ccc(CCS(=O)(=O)C2CNC2)cc1
InChIInChI=1S/C12H17NO2S/c1-10-2-4-11(5-3-10)6-7-16(14,15)12-8-13-9-12/h2-5,12-13H,6-9H2,1H3
InChIKeyGHAFJOHKXKSCKV-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.92
Rot. Bonds4

About 3-[2-(4-methylphenyl)ethylsulfonyl]azetidine

3-[2-(4-methylphenyl)ethylsulfonyl]azetidine (PubChem CID 115070382) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)ethylsulfonyl]azetidine.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)ethylsulfonyl]azetidine
PubChem CID115070382
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-[2-(4-methylphenyl)ethylsulfonyl]azetidine
SMILESCc1ccc(CCS(=O)(=O)C2CNC2)cc1
InChIInChI=1S/C12H17NO2S/c1-10-2-4-11(5-3-10)6-7-16(14,15)12-8-13-9-12/h2-5,12-13H,6-9H2,1H3
InChIKeyGHAFJOHKXKSCKV-UHFFFAOYSA-N
XLogP0.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[2-[2-(4-methylphenyl)ethylsulfonyl]ethyl]benzene
CID 70410777
3-propylsulfonylazetidine
CID 68955832
3-[2-(3-methylphenyl)ethylsulfonyl]piperidine
CID 115070423
ethane;1-methyl-4-(2-methylsulfonylethyl)benzene
CID 143460144
4-(azetidin-3-ylsulfonylmethyl)phenol
CID 115070287
4-methyl-1-[2-(4-methylphenyl)ethylsulfonyl]piperidine
CID 142176904
1-[2-(benzenesulfonyl)ethyl]-4-methylbenzene;ethane
CID 158891776
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(4-methylphenyl)propan-1-one
CID 66211414
(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
CID 7016814
4-[2-(4-methylphenyl)sulfonylethyl]phenol
CID 141218535
methanesulfonic acid;1-methyl-4-[4-[2-(4-methylphenyl)ethyl]phenyl]benzene
CID 91314027
1-[(4-methylphenyl)methyl]-4-(2-phenylethylsulfonyl)piperazine
CID 110398775

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)ethylsulfonyl]azetidine?
The IUPAC name of 3-[2-(4-methylphenyl)ethylsulfonyl]azetidine (CID 115070382) is 3-[2-(4-methylphenyl)ethylsulfonyl]azetidine.
What is the SMILES notation for 3-[2-(4-methylphenyl)ethylsulfonyl]azetidine?
The canonical SMILES for 3-[2-(4-methylphenyl)ethylsulfonyl]azetidine is Cc1ccc(CCS(=O)(=O)C2CNC2)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)ethylsulfonyl]azetidine?
The InChIKey is GHAFJOHKXKSCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-2-4-11(5-3-10)6-7-16(14,15)12-8-13-9-12/h2-5,12-13H,6-9H2,1H3.
What are the key properties of 3-[2-(4-methylphenyl)ethylsulfonyl]azetidine?
3-[2-(4-methylphenyl)ethylsulfonyl]azetidine has a molecular weight of 239.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)ethylsulfonyl]azetidine is sourced from PubChem (CID 115070382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).