1-(benzenesulfinyl)azetidin-3-ol

C9H11NO2S — CID 131137863

IUPAC1-(benzenesulfinyl)azetidin-3-ol
SMILESO=S(c1ccccc1)N1CC(O)C1
InChIInChI=1S/C9H11NO2S/c11-8-6-10(7-8)13(12)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2
InChIKeyDDDHEPWJJCOPPN-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.39
Rot. Bonds2

About 1-(benzenesulfinyl)azetidin-3-ol

1-(benzenesulfinyl)azetidin-3-ol (PubChem CID 131137863) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(benzenesulfinyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(benzenesulfinyl)azetidin-3-ol
PubChem CID131137863
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name1-(benzenesulfinyl)azetidin-3-ol
SMILESO=S(c1ccccc1)N1CC(O)C1
InChIInChI=1S/C9H11NO2S/c11-8-6-10(7-8)13(12)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2
InChIKeyDDDHEPWJJCOPPN-UHFFFAOYSA-N
XLogP0.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)azetidin-3-ol?
The IUPAC name of 1-(benzenesulfinyl)azetidin-3-ol (CID 131137863) is 1-(benzenesulfinyl)azetidin-3-ol.
What is the SMILES notation for 1-(benzenesulfinyl)azetidin-3-ol?
The canonical SMILES for 1-(benzenesulfinyl)azetidin-3-ol is O=S(c1ccccc1)N1CC(O)C1.
What is the InChIKey of 1-(benzenesulfinyl)azetidin-3-ol?
The InChIKey is DDDHEPWJJCOPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-8-6-10(7-8)13(12)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2.
What are the key properties of 1-(benzenesulfinyl)azetidin-3-ol?
1-(benzenesulfinyl)azetidin-3-ol has a molecular weight of 197.26 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)azetidin-3-ol is sourced from PubChem (CID 131137863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).