2-(azetidin-2-ylmethylsulfanyl)phenol

C10H13NOS — CID 115070924

IUPAC2-(azetidin-2-ylmethylsulfanyl)phenol
SMILESOc1ccccc1SCC1CCN1
InChIInChI=1S/C10H13NOS/c12-9-3-1-2-4-10(9)13-7-8-5-6-11-8/h1-4,8,11-12H,5-7H2
InChIKeyVONBENBSBDKTHR-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.85
Rot. Bonds3

About 2-(azetidin-2-ylmethylsulfanyl)phenol

2-(azetidin-2-ylmethylsulfanyl)phenol (PubChem CID 115070924) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-(azetidin-2-ylmethylsulfanyl)phenol.

Molecular Properties

Compound Name2-(azetidin-2-ylmethylsulfanyl)phenol
PubChem CID115070924
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-(azetidin-2-ylmethylsulfanyl)phenol
SMILESOc1ccccc1SCC1CCN1
InChIInChI=1S/C10H13NOS/c12-9-3-1-2-4-10(9)13-7-8-5-6-11-8/h1-4,8,11-12H,5-7H2
InChIKeyVONBENBSBDKTHR-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)sulfanylmethyl]azetidine
CID 115070920
2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine
CID 115070917
2-(2-pyrrolidin-2-ylethylsulfanyl)phenol
CID 84688727
2-[(4-chlorophenyl)sulfanylmethyl]azetidine
CID 115070934
2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol
CID 116523197
2-(benzylsulfanylmethyl)azetidine
CID 115070954
2-[(3,3-difluorocyclohexyl)methylsulfanyl]phenol
CID 114224994
2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol
CID 115071010
2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol
CID 103160778
2-(azetidin-2-yl)phenol
CID 55282316
(2R)-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyrrolidine
CID 107781606
1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide
CID 115071276

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-2-ylmethylsulfanyl)phenol?
The IUPAC name of 2-(azetidin-2-ylmethylsulfanyl)phenol (CID 115070924) is 2-(azetidin-2-ylmethylsulfanyl)phenol.
What is the SMILES notation for 2-(azetidin-2-ylmethylsulfanyl)phenol?
The canonical SMILES for 2-(azetidin-2-ylmethylsulfanyl)phenol is Oc1ccccc1SCC1CCN1.
What is the InChIKey of 2-(azetidin-2-ylmethylsulfanyl)phenol?
The InChIKey is VONBENBSBDKTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-9-3-1-2-4-10(9)13-7-8-5-6-11-8/h1-4,8,11-12H,5-7H2.
What are the key properties of 2-(azetidin-2-ylmethylsulfanyl)phenol?
2-(azetidin-2-ylmethylsulfanyl)phenol has a molecular weight of 195.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-2-ylmethylsulfanyl)phenol is sourced from PubChem (CID 115070924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).