1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol

C10H12BrNO2S — CID 118632571

IUPAC1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol
SMILESCC1(O)CN(S(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C10H12BrNO2S/c1-10(13)6-12(7-10)15(14)9-4-2-8(11)3-5-9/h2-5,13H,6-7H2,1H3
InChIKeyJCLFIMBTKZZBTD-UHFFFAOYSA-N
MW290.18 g/mol
LogP1.54
Rot. Bonds2

About 1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol

1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol (PubChem CID 118632571) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol
PubChem CID118632571
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol
SMILESCC1(O)CN(S(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C10H12BrNO2S/c1-10(13)6-12(7-10)15(14)9-4-2-8(11)3-5-9/h2-5,13H,6-7H2,1H3
InChIKeyJCLFIMBTKZZBTD-UHFFFAOYSA-N
XLogP1.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-2-(3-hydroxy-3-methylazetidin-1-yl)benzonitrile
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4-bromo-1-(4-methylphenyl)sulfinylpyrrolidin-3-ol;ethane
CID 145128247
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CID 67773096
sodium 4-bromobenzenesulfinate
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2-(4-bromophenyl)sulfinylpropanenitrile
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ethane;1-(4-methylphenyl)sulfinylpiperidine
CID 178050291
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol?
The IUPAC name of 1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol (CID 118632571) is 1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol?
The canonical SMILES for 1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol is CC1(O)CN(S(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol?
The InChIKey is JCLFIMBTKZZBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-10(13)6-12(7-10)15(14)9-4-2-8(11)3-5-9/h2-5,13H,6-7H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol?
1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol has a molecular weight of 290.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfinyl-3-methylazetidin-3-ol is sourced from PubChem (CID 118632571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).