3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one

C10H19NO2S — CID 67722862

IUPAC3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one
SMILESCCCCCSC1NC(=O)C1[C@@H](C)O
InChIInChI=1S/C10H19NO2S/c1-3-4-5-6-14-10-8(7(2)12)9(13)11-10/h7-8,10,12H,3-6H2,1-2H3,(H,11,13)/t7-,8?,10?/m1/s1
InChIKeyLXGFFXIOHAQGOU-ZNFPMYQNSA-N
MW217.33 g/mol
LogP1.36
Rot. Bonds6

About 3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one

3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one (PubChem CID 67722862) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one.

Molecular Properties

Compound Name3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one
PubChem CID67722862
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one
SMILESCCCCCSC1NC(=O)C1[C@@H](C)O
InChIInChI=1S/C10H19NO2S/c1-3-4-5-6-14-10-8(7(2)12)9(13)11-10/h7-8,10,12H,3-6H2,1-2H3,(H,11,13)/t7-,8?,10?/m1/s1
InChIKeyLXGFFXIOHAQGOU-ZNFPMYQNSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one?
The IUPAC name of 3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one (CID 67722862) is 3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one.
What is the SMILES notation for 3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one?
The canonical SMILES for 3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one is CCCCCSC1NC(=O)C1[C@@H](C)O.
What is the InChIKey of 3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one?
The InChIKey is LXGFFXIOHAQGOU-ZNFPMYQNSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-4-5-6-14-10-8(7(2)12)9(13)11-10/h7-8,10,12H,3-6H2,1-2H3,(H,11,13)/t7-,8?,10?/m1/s1.
What are the key properties of 3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one?
3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one has a molecular weight of 217.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one is sourced from PubChem (CID 67722862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).