4-benzylsulfinylazetidin-2-one

C10H11NO2S — CID 67623178

IUPAC4-benzylsulfinylazetidin-2-one
SMILESO=C1CC(S(=O)Cc2ccccc2)N1
InChIInChI=1S/C10H11NO2S/c12-9-6-10(11-9)14(13)7-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
InChIKeyHBGVVQOVDOIHAH-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.78
Rot. Bonds3

About 4-benzylsulfinylazetidin-2-one

4-benzylsulfinylazetidin-2-one (PubChem CID 67623178) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-benzylsulfinylazetidin-2-one.

Molecular Properties

Compound Name4-benzylsulfinylazetidin-2-one
PubChem CID67623178
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name4-benzylsulfinylazetidin-2-one
SMILESO=C1CC(S(=O)Cc2ccccc2)N1
InChIInChI=1S/C10H11NO2S/c12-9-6-10(11-9)14(13)7-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
InChIKeyHBGVVQOVDOIHAH-UHFFFAOYSA-N
XLogP0.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfinylazetidin-2-one?
The IUPAC name of 4-benzylsulfinylazetidin-2-one (CID 67623178) is 4-benzylsulfinylazetidin-2-one.
What is the SMILES notation for 4-benzylsulfinylazetidin-2-one?
The canonical SMILES for 4-benzylsulfinylazetidin-2-one is O=C1CC(S(=O)Cc2ccccc2)N1.
What is the InChIKey of 4-benzylsulfinylazetidin-2-one?
The InChIKey is HBGVVQOVDOIHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c12-9-6-10(11-9)14(13)7-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12).
What are the key properties of 4-benzylsulfinylazetidin-2-one?
4-benzylsulfinylazetidin-2-one has a molecular weight of 209.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfinylazetidin-2-one is sourced from PubChem (CID 67623178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).