2-(benzenesulfonylmethyl)oxetane

C10H12O3S — CID 134992847

IUPAC2-(benzenesulfonylmethyl)oxetane
SMILESO=S(=O)(CC1CCO1)c1ccccc1
InChIInChI=1S/C10H12O3S/c11-14(12,8-9-6-7-13-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChIKeyPKGCOSSHSSWRAC-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.25
Rot. Bonds3

About 2-(benzenesulfonylmethyl)oxetane

2-(benzenesulfonylmethyl)oxetane (PubChem CID 134992847) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)oxetane.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)oxetane
PubChem CID134992847
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name2-(benzenesulfonylmethyl)oxetane
SMILESO=S(=O)(CC1CCO1)c1ccccc1
InChIInChI=1S/C10H12O3S/c11-14(12,8-9-6-7-13-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2
InChIKeyPKGCOSSHSSWRAC-UHFFFAOYSA-N
XLogP1.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)oxetane?
The IUPAC name of 2-(benzenesulfonylmethyl)oxetane (CID 134992847) is 2-(benzenesulfonylmethyl)oxetane.
What is the SMILES notation for 2-(benzenesulfonylmethyl)oxetane?
The canonical SMILES for 2-(benzenesulfonylmethyl)oxetane is O=S(=O)(CC1CCO1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)oxetane?
The InChIKey is PKGCOSSHSSWRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c11-14(12,8-9-6-7-13-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2.
What are the key properties of 2-(benzenesulfonylmethyl)oxetane?
2-(benzenesulfonylmethyl)oxetane has a molecular weight of 212.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)oxetane is sourced from PubChem (CID 134992847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).