4-(3-hydroxypropylsulfanyl)azetidin-2-one

C6H11NO2S — CID 57399164

IUPAC4-(3-hydroxypropylsulfanyl)azetidin-2-one
SMILESO=C1CC(SCCCO)N1
InChIInChI=1S/C6H11NO2S/c8-2-1-3-10-6-4-5(9)7-6/h6,8H,1-4H2,(H,7,9)
InChIKeyCXCAQXBVWMNHOY-UHFFFAOYSA-N
MW161.23 g/mol
LogP-0.05
Rot. Bonds4

About 4-(3-hydroxypropylsulfanyl)azetidin-2-one

4-(3-hydroxypropylsulfanyl)azetidin-2-one (PubChem CID 57399164) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 4-(3-hydroxypropylsulfanyl)azetidin-2-one.

Molecular Properties

Compound Name4-(3-hydroxypropylsulfanyl)azetidin-2-one
PubChem CID57399164
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name4-(3-hydroxypropylsulfanyl)azetidin-2-one
SMILESO=C1CC(SCCCO)N1
InChIInChI=1S/C6H11NO2S/c8-2-1-3-10-6-4-5(9)7-6/h6,8H,1-4H2,(H,7,9)
InChIKeyCXCAQXBVWMNHOY-UHFFFAOYSA-N
XLogP-0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropylsulfanyl)azetidin-2-one?
The IUPAC name of 4-(3-hydroxypropylsulfanyl)azetidin-2-one (CID 57399164) is 4-(3-hydroxypropylsulfanyl)azetidin-2-one.
What is the SMILES notation for 4-(3-hydroxypropylsulfanyl)azetidin-2-one?
The canonical SMILES for 4-(3-hydroxypropylsulfanyl)azetidin-2-one is O=C1CC(SCCCO)N1.
What is the InChIKey of 4-(3-hydroxypropylsulfanyl)azetidin-2-one?
The InChIKey is CXCAQXBVWMNHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c8-2-1-3-10-6-4-5(9)7-6/h6,8H,1-4H2,(H,7,9).
What are the key properties of 4-(3-hydroxypropylsulfanyl)azetidin-2-one?
4-(3-hydroxypropylsulfanyl)azetidin-2-one has a molecular weight of 161.23 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropylsulfanyl)azetidin-2-one is sourced from PubChem (CID 57399164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).