8-prop-2-enylsulfanyloctanamide

C11H21NOS — CID 123372777

IUPAC8-prop-2-enylsulfanyloctanamide
SMILESC=CCSCCCCCCCC(N)=O
InChIInChI=1S/C11H21NOS/c1-2-9-14-10-7-5-3-4-6-8-11(12)13/h2H,1,3-10H2,(H2,12,13)
InChIKeySGXPILWEDABWDZ-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.73
Rot. Bonds10

About 8-prop-2-enylsulfanyloctanamide

8-prop-2-enylsulfanyloctanamide (PubChem CID 123372777) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 8-prop-2-enylsulfanyloctanamide.

Molecular Properties

Compound Name8-prop-2-enylsulfanyloctanamide
PubChem CID123372777
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name8-prop-2-enylsulfanyloctanamide
SMILESC=CCSCCCCCCCC(N)=O
InChIInChI=1S/C11H21NOS/c1-2-9-14-10-7-5-3-4-6-8-11(12)13/h2H,1,3-10H2,(H2,12,13)
InChIKeySGXPILWEDABWDZ-UHFFFAOYSA-N
XLogP2.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-prop-2-enylsulfanyloctanamide 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 8-prop-2-enylsulfanyloctanamide?
The IUPAC name of 8-prop-2-enylsulfanyloctanamide (CID 123372777) is 8-prop-2-enylsulfanyloctanamide.
What is the SMILES notation for 8-prop-2-enylsulfanyloctanamide?
The canonical SMILES for 8-prop-2-enylsulfanyloctanamide is C=CCSCCCCCCCC(N)=O.
What is the InChIKey of 8-prop-2-enylsulfanyloctanamide?
The InChIKey is SGXPILWEDABWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-2-9-14-10-7-5-3-4-6-8-11(12)13/h2H,1,3-10H2,(H2,12,13).
What are the key properties of 8-prop-2-enylsulfanyloctanamide?
8-prop-2-enylsulfanyloctanamide has a molecular weight of 215.36 g/mol, XLogP of 2.73, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enylsulfanyloctanamide is sourced from PubChem (CID 123372777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).