2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide

C11H20N2O2S — CID 106310859

IUPAC2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
SMILESCC(C(=O)NCCSCCCO)=C1CNC1
InChIInChI=1S/C11H20N2O2S/c1-9(10-7-12-8-10)11(15)13-3-6-16-5-2-4-14/h12,14H,2-8H2,1H3,(H,13,15)
InChIKeyIFQZIFYRHRKXMG-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.14
Rot. Bonds7

About 2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide

2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide (PubChem CID 106310859) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
PubChem CID106310859
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
SMILESCC(C(=O)NCCSCCCO)=C1CNC1
InChIInChI=1S/C11H20N2O2S/c1-9(10-7-12-8-10)11(15)13-3-6-16-5-2-4-14/h12,14H,2-8H2,1H3,(H,13,15)
InChIKeyIFQZIFYRHRKXMG-UHFFFAOYSA-N
XLogP0.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide (CID 106310859) is 2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide is CC(C(=O)NCCSCCCO)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide?
The InChIKey is IFQZIFYRHRKXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-9(10-7-12-8-10)11(15)13-3-6-16-5-2-4-14/h12,14H,2-8H2,1H3,(H,13,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide?
2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide has a molecular weight of 244.36 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 106310859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).