3-methylsulfanylprop-2-enamide

C4H7NOS — CID 73116302

IUPAC3-methylsulfanylprop-2-enamide
SMILESCSC=CC(N)=O
InChIInChI=1S/C4H7NOS/c1-7-3-2-4(5)6/h2-3H,1H3,(H2,5,6)
InChIKeyUGCFGYFFVPRMTK-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.35
Rot. Bonds2

About 3-methylsulfanylprop-2-enamide

3-methylsulfanylprop-2-enamide (PubChem CID 73116302) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is 3-methylsulfanylprop-2-enamide.

Molecular Properties

Compound Name3-methylsulfanylprop-2-enamide
PubChem CID73116302
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name3-methylsulfanylprop-2-enamide
SMILESCSC=CC(N)=O
InChIInChI=1S/C4H7NOS/c1-7-3-2-4(5)6/h2-3H,1H3,(H2,5,6)
InChIKeyUGCFGYFFVPRMTK-UHFFFAOYSA-N
XLogP0.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylprop-2-enamide?
The IUPAC name of 3-methylsulfanylprop-2-enamide (CID 73116302) is 3-methylsulfanylprop-2-enamide.
What is the SMILES notation for 3-methylsulfanylprop-2-enamide?
The canonical SMILES for 3-methylsulfanylprop-2-enamide is CSC=CC(N)=O.
What is the InChIKey of 3-methylsulfanylprop-2-enamide?
The InChIKey is UGCFGYFFVPRMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c1-7-3-2-4(5)6/h2-3H,1H3,(H2,5,6).
What are the key properties of 3-methylsulfanylprop-2-enamide?
3-methylsulfanylprop-2-enamide has a molecular weight of 117.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylprop-2-enamide is sourced from PubChem (CID 73116302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).