1-(4-methoxy-3-methylphenyl)sulfinylazetidine

C11H15NO2S — CID 167033016

IUPAC1-(4-methoxy-3-methylphenyl)sulfinylazetidine
SMILESCOc1ccc(S(=O)N2CCC2)cc1C
InChIInChI=1S/C11H15NO2S/c1-9-8-10(4-5-11(9)14-2)15(13)12-6-3-7-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyLXQOMDCFSDZUMI-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.73
Rot. Bonds3

About 1-(4-methoxy-3-methylphenyl)sulfinylazetidine

1-(4-methoxy-3-methylphenyl)sulfinylazetidine (PubChem CID 167033016) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)sulfinylazetidine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)sulfinylazetidine
PubChem CID167033016
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(4-methoxy-3-methylphenyl)sulfinylazetidine
SMILESCOc1ccc(S(=O)N2CCC2)cc1C
InChIInChI=1S/C11H15NO2S/c1-9-8-10(4-5-11(9)14-2)15(13)12-6-3-7-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyLXQOMDCFSDZUMI-UHFFFAOYSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-methylbenzenesulfinate
CID 23442728
[4-(4-methoxy-3-methylphenyl)sulfinyl-2-methylphenyl] acetate
CID 89408252
2-[4-[4-(4-tert-butylphenyl)piperazin-1-yl]sulfinyl-2-methylphenoxy]-2-methylpropanoic acid
CID 142952974
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 82296667
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
2-[4-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061983
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium
CID 6957248
4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 3240926
2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134337
4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 112502382

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfinylazetidine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfinylazetidine (CID 167033016) is 1-(4-methoxy-3-methylphenyl)sulfinylazetidine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)sulfinylazetidine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)sulfinylazetidine is COc1ccc(S(=O)N2CCC2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)sulfinylazetidine?
The InChIKey is LXQOMDCFSDZUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9-8-10(4-5-11(9)14-2)15(13)12-6-3-7-12/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)sulfinylazetidine?
1-(4-methoxy-3-methylphenyl)sulfinylazetidine has a molecular weight of 225.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)sulfinylazetidine is sourced from PubChem (CID 167033016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).