1-(4-methylphenyl)sulfonylazetidin-3-ol

C10H13NO3S — CID 3768999

IUPAC1-(4-methylphenyl)sulfonylazetidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC(O)C2)cc1
InChIInChI=1S/C10H13NO3S/c1-8-2-4-10(5-3-8)15(13,14)11-6-9(12)7-11/h2-5,9,12H,6-7H2,1H3
InChIKeyGDXKSMNNDKYNMK-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.36
Rot. Bonds2

About 1-(4-methylphenyl)sulfonylazetidin-3-ol

1-(4-methylphenyl)sulfonylazetidin-3-ol (PubChem CID 3768999) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylazetidin-3-ol
PubChem CID3768999
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name1-(4-methylphenyl)sulfonylazetidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC(O)C2)cc1
InChIInChI=1S/C10H13NO3S/c1-8-2-4-10(5-3-8)15(13,14)11-6-9(12)7-11/h2-5,9,12H,6-7H2,1H3
InChIKeyGDXKSMNNDKYNMK-UHFFFAOYSA-N
XLogP0.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylazetidin-3-ol?
The IUPAC name of 1-(4-methylphenyl)sulfonylazetidin-3-ol (CID 3768999) is 1-(4-methylphenyl)sulfonylazetidin-3-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylazetidin-3-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfonylazetidin-3-ol is Cc1ccc(S(=O)(=O)N2CC(O)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylazetidin-3-ol?
The InChIKey is GDXKSMNNDKYNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8-2-4-10(5-3-8)15(13,14)11-6-9(12)7-11/h2-5,9,12H,6-7H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylazetidin-3-ol?
1-(4-methylphenyl)sulfonylazetidin-3-ol has a molecular weight of 227.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylazetidin-3-ol is sourced from PubChem (CID 3768999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).