3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine

C14H21NO3S — CID 131929625

IUPAC3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine
SMILESCc1cccc(OC2CN(C(C)CS(C)(=O)=O)C2)c1
InChIInChI=1S/C14H21NO3S/c1-11-5-4-6-13(7-11)18-14-8-15(9-14)12(2)10-19(3,16)17/h4-7,12,14H,8-10H2,1-3H3
InChIKeyMGLOCQXEOQGVNT-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.49
Rot. Bonds5

About 3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine

3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine (PubChem CID 131929625) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine.

Molecular Properties

Compound Name3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine
PubChem CID131929625
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine
SMILESCc1cccc(OC2CN(C(C)CS(C)(=O)=O)C2)c1
InChIInChI=1S/C14H21NO3S/c1-11-5-4-6-13(7-11)18-14-8-15(9-14)12(2)10-19(3,16)17/h4-7,12,14H,8-10H2,1-3H3
InChIKeyMGLOCQXEOQGVNT-UHFFFAOYSA-N
XLogP1.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylphenoxy)cyclononane
CID 145391482
2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole
CID 131892364
1-[(2S)-4-methoxybutan-2-yl]-3-phenoxyazetidine
CID 164643205
2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one
CID 131900131
4-(3-methylphenoxy)-1-propan-2-ylpiperidine;(1S,5R)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 170625369
1-ethyl-3-(3-propan-2-ylsulfonylphenoxy)azetidine
CID 174269275
formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine
CID 154915892
3-(3-methylphenoxy)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]azetidine-1-carboxamide
CID 121495362
1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 97202927
1-[4-(3-methylphenoxy)phenyl]sulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594410
(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97113057
N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 122571233

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine?
The IUPAC name of 3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine (CID 131929625) is 3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine.
What is the SMILES notation for 3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine?
The canonical SMILES for 3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine is Cc1cccc(OC2CN(C(C)CS(C)(=O)=O)C2)c1.
What is the InChIKey of 3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine?
The InChIKey is MGLOCQXEOQGVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-5-4-6-13(7-11)18-14-8-15(9-14)12(2)10-19(3,16)17/h4-7,12,14H,8-10H2,1-3H3.
What are the key properties of 3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine?
3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine has a molecular weight of 283.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine is sourced from PubChem (CID 131929625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).